N-(3-methylphenyl)-2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]-N-(3-methylphenyl)acetamide IUPAC Name: N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide Traditional Name: 2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]-N-(m-tolyl)acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-14-6-5-9-16(12-14)22-18(25)13-17-19(26)21-10-11-24(17)20(27)23-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,26)(H,22,25)(H,23,27)