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

Systemtic Name: 2-methoxyethyl 4-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C20H31N3O7S MolecularWeight: 457.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O7S/c1-28-11-12-29-17(25)8-7-16(24)22-20(31)23-10-9-21-19(27)15(23)13-18(26)30-14-5-3-2-4-6-14/h14-15H,2-13H2,1H3,(H,21,27)(H,22,24,31)