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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-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=CC(=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

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