3-phenylpropyl 5-oxidanylidene-5-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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