IUPAC name
N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamic acid
SMILES
CC(C)[C@@H](C(=O)N[C@H](C)c1nc2ccc(cc2s1)F)NC(=O)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
benthiavalicarb
IUPAC name
N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamic acid
SMILES
CC(C)[C@@H](C(=O)N[C@H](C)c1nc2ccc(cc2s1)F)NC(=O)O
INCHI
InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1
FORMULA
C15H18FN3O3S
Common name
benthiavalicarb
IUPAC name
N-[(1S)-1-[[[(1R)-1-(6-fluoro-2-benzothiazolyl)ethyl]amino]carbonyl]-2-methylpropyl]carbamic acid
Molecular weight
339.385
clogP
3.435
clogS
-3.014
HBond Acceptor
5
HBond Donor
3
Total Polar Surface Area
123.05
Number of Rings
2
Rotatable Bond
5
