methyl 3-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-benzyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[oxo-[[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[2-(2-benzoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O6S/c1-31-22(30)17-9-5-8-16(12-17)20(28)25-23(33)26-11-10-24-21(29)18(26)13-19(27)32-14-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,24,29)(H,25,28,33)