3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-[2-keto-2-(2-phenoxyethoxy)ethyl]piperazine-1-carbothioyl]amino]butyric acid 3-phenylpropyl ester Formula: C28H33N3O7S MolecularWeight: 555.64252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O7S/c32-24(13-14-25(33)37-17-7-10-21-8-3-1-4-9-21)30-28(39)31-16-15-29-27(35)23(31)20-26(34)38-19-18-36-22-11-5-2-6-12-22/h1-6,8-9,11-12,23H,7,10,13-20H2,(H,29,35)(H,30,32,39)