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

Systemtic Name: methyl 3-[[2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[[[[2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[3-keto-2-(2-keto-2-methoxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O6S/c1-25-13(21)9-12-15(23)18-6-7-20(12)17(27)19-14(22)10-4-3-5-11(8-10)16(24)26-2/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,23)(H,19,22,27)