N-(3-chloranyl-4-methyl-phenyl)-3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(8-methoxy-4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(8-methoxy-4-methyl-2-quinolyl)thio]propionamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=C(C=CC=C3OC)C(=C2)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=C(C=CC=C3OC)C(=C2)C)Cl

InChI

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