methyl 4-[[2-oxidanylidene-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[4-[(phenethylamino)-sulfanylidenemethyl]-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[4-(phenethylcarbamothioyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(phenethylthiocarbamoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O4S/c1-31-22(30)18-7-9-19(10-8-18)25-20(28)21(29)26-13-15-27(16-14-26)23(32)24-12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,24,32)(H,25,28)