N-(5-chloranyl-2-methoxy-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

InChI

InChI=1S/C21H22ClN3O2S/c1-13-3-5-17-14(9-13)10-15(12-23)21(25-17)28-8-7-20(26)24-18-11-16(22)4-6-19(18)27-2/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,24,26)