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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[[4-(phenylsulfamoyl)anilino]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(phenylsulfamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(phenylsulfamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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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)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O5S2/c31-25(14-7-15-26(32)35-20-8-11-21-9-3-1-4-10-21)29-27(36)28-22-16-18-24(19-17-22)37(33,34)30-23-12-5-2-6-13-23/h1-6,9-10,12-13,16-19,30H,7-8,11,14-15,20H2,(H2,28,29,31,36)