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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

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