IUPAC name
[2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
SMILES
CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1
Compound class
Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives;
Therapeutic area
Captodiame is indicated for the treatment of anxiety.
Common name
Captodiame
IUPAC name
[2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
SMILES
CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1
INCHI
InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
FORMULA
C21H29NS2
Common name
Captodiame
IUPAC name
[2-({[4-(butylsulfanyl)phenyl](phenyl)methyl}sulfanyl)ethyl]dimethylamine
Molecular weight
359.592
clogP
5.823
clogS
-6.297
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
53.84
Number of Rings
2
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00055 | methylsulfanylethane |
|
S(C)CC | 0.0089 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00399 | methylsulfanylbenzene |
|
c1(ccccc1)SC | 0.0017 |
| FDBF01023 | methylsulfanylmethylbenzene |
|
CSCc1ccccc1 | 0.0010 |
| FDBF03078 | butane-1-thiol |
|
CCCCS | 0.0007 |
| FDBF03952 | 4-methylbenzenethiol |
|
Cc1ccc(cc1)S | 0.0003 |
| FDBF03954 | 1-methyl-4-methylsulfanyl-benzene |
|
Cc1ccc(cc1)SC | 0.0003 |
| FDBF03955 | N,N-dimethyl-2-methylsulfanyl-ethanamine |
|
N(C)(C)CCSC | 0.0003 |
20 ,
3
