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

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

Isomeric SMILES

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

InChI

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