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

Systemtic Name: methyl 3-[[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[[[[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-decoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C26H37N3O6S MolecularWeight: 519.65348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O6S/c1-3-4-5-6-7-8-9-10-16-35-22(30)18-21-24(32)27-14-15-29(21)26(36)28-23(31)19-12-11-13-20(17-19)25(33)34-2/h11-13,17,21H,3-10,14-16,18H2,1-2H3,(H,27,32)(H,28,31,36)