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

Systemtic Name: methyl 4-oxidanylidene-4-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c1-27-18(24)12-11-17(23)22-19(28)21-15-7-9-16(10-8-15)29(25,26)20-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H2,21,22,23,28)