N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-13(2)19(26)22-15-8-10-16(11-9-15)23-20(27)24-18(25)12-7-14-5-3-4-6-17(14)21/h3-6,8-11,13H,7,12H2,1-2H3,(H,22,26)(H2,23,24,25,27)