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

Systemtic Name: phenethyl 4-[[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[2-(2-decoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid phenethyl ester Formula: C29H43N3O6S MolecularWeight: 561.73322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C29H43N3O6S/c1-2-3-4-5-6-7-8-12-20-37-27(35)22-24-28(36)30-18-19-32(24)29(39)31-25(33)15-16-26(34)38-21-17-23-13-10-9-11-14-23/h9-11,13-14,24H,2-8,12,15-22H2,1H3,(H,30,36)(H,31,33,39)