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

Systemtic Name: 3-phenylpropyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[ethyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[ethyl(phenyl)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:

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

Isomeric SMILES

CCN(C1=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/c1-2-31(24-13-7-4-8-14-24)38(34,35)25-17-15-23(16-18-25)29-28(37)30-26(32)19-20-27(33)36-21-9-12-22-10-5-3-6-11-22/h3-8,10-11,13-18H,2,9,12,19-21H2,1H3,(H2,29,30,32,37)