N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(m-tolylcarbamothioyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(m-tolylthiocarbamoyl)piperazino]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

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