N-(5-chloranyl-2-methyl-phenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methylphenyl)-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-3-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C21H21ClN2OS/c1-13-7-8-16(22)12-18(13)23-19(25)9-10-26-20-11-15(3)17-6-4-5-14(2)21(17)24-20/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)