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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3

InChI

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