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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(phenethylsulfamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C29H33N3O5S2 MolecularWeight: 567.71942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O5S2/c33-27(14-7-15-28(34)37-22-8-13-23-9-3-1-4-10-23)32-29(38)31-25-16-18-26(19-17-25)39(35,36)30-21-20-24-11-5-2-6-12-24/h1-6,9-12,16-19,30H,7-8,13-15,20-22H2,(H2,31,32,33,38)