N-(3-chloranyl-2-methyl-phenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2OS/c1-13-10-15(3)22-17(11-13)14(2)12-21(25-22)27-9-8-20(26)24-19-7-5-6-18(23)16(19)4/h5-7,10-12H,8-9H2,1-4H3,(H,24,26)