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

Systemtic Name: 2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]-N-(m-tolyl)acetamide CAS Name: 2-[1-[(2-methoxyanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[1-[(2-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[3-keto-1-[(2-methoxyphenyl)thiocarbamoyl]piperazin-2-yl]-N-(m-tolyl)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H24N4O3S/c1-14-6-5-7-15(12-14)23-19(26)13-17-20(27)22-10-11-25(17)21(29)24-16-8-3-4-9-18(16)28-2/h3-9,12,17H,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,29)