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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(2-methylpropylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(isobutylsulfamoyl)phenyl]butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(2-methylpropylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(2-methylpropylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-[4-(isobutylsulfamoyl)phenyl]butyramide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C)C)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(C)C)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C25H31N3O3S2/c1-6-22(32-23-14-18(5)21-9-7-8-17(4)24(21)28-23)25(29)27-19-10-12-20(13-11-19)33(30,31)26-15-16(2)3/h7-14,16,22,26H,6,15H2,1-5H3,(H,27,29)