ethyl (E)-4-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-[2-(cyclohexoxy)-2-oxo-ethyl]-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-(2-cyclohexyloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(2-cyclohexyloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[2-[2-(cyclohexoxy)-2-keto-ethyl]-3-keto-piperazine-1-carbothioyl]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

InChI

InChI=1S/C19H27N3O6S/c1-2-27-16(24)9-8-15(23)21-19(29)22-11-10-20-18(26)14(22)12-17(25)28-13-6-4-3-5-7-13/h8-9,13-14H,2-7,10-12H2,1H3,(H,20,26)(H,21,23,29)/b9-8+