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

Systemtic Name: phenethyl 4-[[2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O6S/c29-21(11-12-22(30)33-16-13-18-7-3-1-4-8-18)27-25(35)28-15-14-26-24(32)20(28)17-23(31)34-19-9-5-2-6-10-19/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,26,32)(H,27,29,35)