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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S/c31-26(17-18-27(32)35-19-9-12-22-10-3-1-4-11-22)30-28(36)29-24-15-7-8-16-25(24)34-21-20-33-23-13-5-2-6-14-23/h1-8,10-11,13-16H,9,12,17-21H2,(H2,29,30,31,36)