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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[4-(allylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(allylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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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)OCCC2=CC=CC=C2

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O5S2/c1-2-15-23-32(28,29)19-10-8-18(9-11-19)24-22(31)25-20(26)12-13-21(27)30-16-14-17-6-4-3-5-7-17/h2-11,23H,1,12-16H2,(H2,24,25,26,31)