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

Systemtic Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-13-16-5-3-4-6-17(16)18(11-21)20(22-13)26-12-19(24)23-14-7-9-15(25-2)10-8-14/h7-10H,3-6,12H2,1-2H3,(H,23,24)