propyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O5S2/c1-2-14-29-20(26)13-12-19(25)24-21(30)23-17-8-10-18(11-9-17)31(27,28)22-15-16-6-4-3-5-7-16/h3-11,22H,2,12-15H2,1H3,(H2,23,24,25,30)