N-(2-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(3,5-dimethylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)thiocarbamoyl]piperazino]acetamide Formula: C21H25ClN4OS MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)C

InChI

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