N-(3-chloranyl-4-methyl-phenyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(3,7,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(3,7,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(3,7,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC(=C(C=C3)C)Cl)C

InChI

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