3-phenylpropyl 5-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]pentanoate CAS Name: 5-[[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]valeric acid 3-phenylpropyl ester Formula: C25H35N3O6S MolecularWeight: 505.6269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H35N3O6S/c1-3-18(2)34-23(31)17-20-24(32)26-14-15-28(20)25(35)27-21(29)12-7-13-22(30)33-16-8-11-19-9-5-4-6-10-19/h4-6,9-10,18,20H,3,7-8,11-17H2,1-2H3,(H,26,32)(H,27,29,35)