N-(3-chloranyl-4-methyl-phenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2OS/c1-5-19(22(26)24-16-10-9-13(2)18(23)12-16)27-20-11-15(4)17-8-6-7-14(3)21(17)25-20/h6-12,19H,5H2,1-4H3,(H,24,26)