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

Systemtic Name: methyl 3-[[2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-ethoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[[[[2-(2-ethoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[2-(2-ethoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-3-27-14(22)10-13-16(24)19-7-8-21(13)18(28)20-15(23)11-5-4-6-12(9-11)17(25)26-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,19,24)(H,20,23,28)