3-phenylpropyl 5-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C28H31N3O6S2 MolecularWeight: 569.69224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O6S2/c1-36-24-16-12-23(13-17-24)31-39(34,35)25-18-14-22(15-19-25)29-28(38)30-26(32)10-5-11-27(33)37-20-6-9-21-7-3-2-4-8-21/h2-4,7-8,12-19,31H,5-6,9-11,20H2,1H3,(H2,29,30,32,38)