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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

InChI

InChI=1S/C21H22ClN3O2S/c1-3-17-15-7-5-4-6-14(15)16(11-23)21(25-17)28-12-20(26)24-18-10-13(22)8-9-19(18)27-2/h8-10H,3-7,12H2,1-2H3,(H,24,26)