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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(propylsulfamoyl)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(propylsulfamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O5S2/c1-2-17-25-34(30,31)21-15-13-20(14-16-21)26-24(33)27-22(28)11-6-12-23(29)32-18-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-16,25H,2,6-7,10-12,17-18H2,1H3,(H2,26,27,28,33)