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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(o-tolylcarbamothioyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(o-tolylthiocarbamoyl)piperazino]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=S)NC3=CC=CC=C3C)C

InChI

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