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

Systemtic Name: N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[3-(2-chlorophenyl)propanoylcarbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]phenyl]-3-methyl-butyramide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-14(2)13-20(27)23-16-8-10-17(11-9-16)24-21(28)25-19(26)12-7-15-5-3-4-6-18(15)22/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,27)(H2,24,25,26,28)