N-(2,4-dimethylphenyl)-2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-14-8-9-17(15(2)12-14)24-19(26)13-18-20(27)22-10-11-25(18)21(28)23-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)