N-(3,4-dichlorophenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3,4-dichlorophenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3,4-dichlorophenyl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3,4-dichlorophenyl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3,4-dichlorophenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3,4-dichlorophenyl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C21H20Cl2N2OS MolecularWeight: 419.3673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C)C

InChI

InChI=1S/C21H20Cl2N2OS/c1-12-8-14(3)21-16(9-12)13(2)10-20(25-21)27-7-6-19(26)24-15-4-5-17(22)18(23)11-15/h4-5,8-11H,6-7H2,1-3H3,(H,24,26)