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

Systemtic Name: 3-phenylpropyl 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O5S2/c1-31(21-23-11-6-3-7-12-23)38(34,35)25-16-14-24(15-17-25)29-28(37)30-26(32)18-19-27(33)36-20-8-13-22-9-4-2-5-10-22/h2-7,9-12,14-17H,8,13,18-21H2,1H3,(H2,29,30,32,37)