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

Systemtic Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenyl-acetamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-2-18-16-11-7-6-10-15(16)17(12-21)20(23-18)25-13-19(24)22-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H,22,24)