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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[4-(allylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(allylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O5S2/c1-2-16-24-33(29,30)20-12-10-19(11-13-20)25-23(32)26-21(27)14-15-22(28)31-17-6-9-18-7-4-3-5-8-18/h2-5,7-8,10-13,24H,1,6,9,14-17H2,(H2,25,26,27,32)