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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H21ClN2O2S/c1-13-5-4-6-16-14(2)11-20(24-21(13)16)27-10-9-19(25)23-17-12-15(22)7-8-18(17)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)