N-(3-chloranyl-4-methoxy-phenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC(=C(C=C3)OC)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCCC(=O)NC3=CC(=C(C=C3)OC)Cl)C)C

InChI

InChI=1S/C22H23ClN2O2S/c1-13-9-15(3)22-17(10-13)14(2)11-21(25-22)28-8-7-20(26)24-16-5-6-19(27-4)18(23)12-16/h5-6,9-12H,7-8H2,1-4H3,(H,24,26)