N-(5-chloranyl-2-methyl-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H21ClN2OS MolecularWeight: 384.92224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2OS/c1-4-19(21(25)24-18-12-15(22)10-9-13(18)2)26-20-11-14(3)16-7-5-6-8-17(16)23-20/h5-12,19H,4H2,1-3H3,(H,24,25)