IUPAC name
1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one
SMILES
CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1
Compound class
Antineoplastic Agents; Schistosomicides;
Therapeutic area
Intended for use as a radiation sensitizer in the treatment of brain cancer.
Common name
Lucanthone
IUPAC name
1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one
SMILES
CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1
INCHI
InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3
FORMULA
C20H24N2OS
Common name
Lucanthone
IUPAC name
1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one
Molecular weight
340.482
clogP
5.563
clogS
-6.570
HBond Acceptor
2
HBond Donor
1
Total Polar Surface Area
60.58
Number of Rings
3
Rotatable Bond
6
