2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxidanylidene-piperazin-2-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxo-piperazin-2-yl]-N-(p-tolyl)acetamide CAS Name: 2-[1-[(4-methoxyanilino)-sulfanylidenemethyl]-3-oxo-2-piperazinyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[3-keto-1-[(4-methoxyphenyl)thiocarbamoyl]piperazin-2-yl]-N-(p-tolyl)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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