N-(5-chloranyl-2-methoxy-phenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

InChI

InChI=1S/C20H20ClN3O2S/c1-12-14-5-3-4-6-15(14)16(10-22)20(23-12)27-11-19(25)24-17-9-13(21)7-8-18(17)26-2/h7-9H,3-6,11H2,1-2H3,(H,24,25)