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

Systemtic Name: methyl 3-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[[[[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C28H41N3O6S MolecularWeight: 547.70664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O6S/c1-3-4-5-6-7-8-9-10-11-12-18-37-24(32)20-23-26(34)29-16-17-31(23)28(38)30-25(33)21-14-13-15-22(19-21)27(35)36-2/h13-15,19,23H,3-12,16-18,20H2,1-2H3,(H,29,34)(H,30,33,38)