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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2OS/c1-13-9-16(4)22-18(10-13)15(3)11-21(25-22)27-8-7-20(26)24-17-6-5-14(2)19(23)12-17/h5-6,9-12H,7-8H2,1-4H3,(H,24,26)