2-[4-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[(2-chloro-4-methyl-phenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[(2-chloro-4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[(2-chloro-4-methylphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[(2-chloro-4-methyl-phenyl)thiocarbamoyl]piperazino]-N-methyl-N-phenyl-acetamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N(C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N(C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-16-8-9-19(18(22)14-16)23-21(28)26-12-10-25(11-13-26)15-20(27)24(2)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,28)