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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]propanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-[4-(phenethylsulfamoyl)phenyl]propanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]propanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]propionamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S2/c1-19-8-7-11-25-20(2)18-26(31-27(19)25)35-21(3)28(32)30-23-12-14-24(15-13-23)36(33,34)29-17-16-22-9-5-4-6-10-22/h4-15,18,21,29H,16-17H2,1-3H3,(H,30,32)