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

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[(3,4-dimethylanilino)-sulfanylidenemethyl]-1-piperazinyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[(3,4-dimethylphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[(3,4-dimethylphenyl)thiocarbamoyl]piperazino]-N-methyl-N-phenyl-acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-17-9-10-19(15-18(17)2)23-22(28)26-13-11-25(12-14-26)16-21(27)24(3)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3,(H,23,28)