methyl 4-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-[2-(cyclohexoxy)-2-oxo-ethyl]-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-(2-cyclohexyloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-cyclohexyloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-[2-(cyclohexoxy)-2-keto-ethyl]-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid methyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

InChI

InChI=1S/C18H27N3O6S/c1-26-15(23)8-7-14(22)20-18(28)21-10-9-19-17(25)13(21)11-16(24)27-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,19,25)(H,20,22,28)