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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O5S2/c32-26(17-18-27(33)36-21-7-12-22-8-3-1-4-9-22)31-28(37)30-24-13-15-25(16-14-24)38(34,35)29-20-19-23-10-5-2-6-11-23/h1-6,8-11,13-16,29H,7,12,17-21H2,(H2,30,31,32,37)