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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-benzyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carbothioyl]amino]pentanoate Traditional Name: 5-[[2-(2-benzoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H33N3O6S MolecularWeight: 539.64312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O6S/c32-24(14-7-15-25(33)36-18-8-13-21-9-3-1-4-10-21)30-28(38)31-17-16-29-27(35)23(31)19-26(34)37-20-22-11-5-2-6-12-22/h1-6,9-12,23H,7-8,13-20H2,(H,29,35)(H,30,32,38)