propyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O5S2/c1-2-16-30-21(27)13-12-20(26)25-22(31)24-18-8-10-19(11-9-18)32(28,29)23-15-14-17-6-4-3-5-7-17/h3-11,23H,2,12-16H2,1H3,(H2,24,25,26,31)