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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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