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

Systemtic Name: 3-phenylpropyl 5-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C29H33N3O6S2 MolecularWeight: 583.71882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=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/C29H33N3O6S2/c1-2-37-25-17-13-24(14-18-25)32-40(35,36)26-19-15-23(16-20-26)30-29(39)31-27(33)11-6-12-28(34)38-21-7-10-22-8-4-3-5-9-22/h3-5,8-9,13-20,32H,2,6-7,10-12,21H2,1H3,(H2,30,31,33,39)