2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(phenethylsulfamoyl)phenyl]butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butyramide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C29H31N3O3S2/c1-4-26(36-27-19-21(3)25-12-8-9-20(2)28(25)32-27)29(33)31-23-13-15-24(16-14-23)37(34,35)30-18-17-22-10-6-5-7-11-22/h5-16,19,26,30H,4,17-18H2,1-3H3,(H,31,33)