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

Systemtic Name: N-[4-(diethylsulfamoyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[4-(diethylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[4-(diethylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[4-(diethylsulfamoyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[4-(diethylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)thio]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)N(CC)CC)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S2/c1-6-22(32-23-16-18(5)21-11-9-10-17(4)24(21)27-23)25(29)26-19-12-14-20(15-13-19)33(30,31)28(7-2)8-3/h9-16,22H,6-8H2,1-5H3,(H,26,29)