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

Systemtic Name: propyl 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-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)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O5S2/c1-3-15-30-21(27)14-13-20(26)24-22(31)23-18-9-11-19(12-10-18)32(28,29)25(2)16-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H2,23,24,26,31)