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

Systemtic Name: methyl 3-[[3-oxidanylidene-2-(2-oxidanylidene-2-pentoxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-oxo-2-(2-oxo-2-pentoxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[oxo-[[[3-oxo-2-(2-oxo-2-pentoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-oxo-2-(2-oxo-2-pentoxyethyl)piperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[2-(2-amoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-3-4-5-11-30-17(25)13-16-19(27)22-9-10-24(16)21(31)23-18(26)14-7-6-8-15(12-14)20(28)29-2/h6-8,12,16H,3-5,9-11,13H2,1-2H3,(H,22,27)(H,23,26,31)