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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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