3-phenylpropyl 5-oxidanylidene-5-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O5S/c32-27(17-8-18-28(33)36-19-9-12-23-10-3-1-4-11-23)31-29(37)30-24-13-7-16-26(22-24)35-21-20-34-25-14-5-2-6-15-25/h1-7,10-11,13-16,22H,8-9,12,17-21H2,(H2,30,31,32,37)