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

Systemtic Name: 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C22H18FN3OS2 MolecularWeight: 423.526223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC(=CC=C3)F)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC(=CC=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H18FN3OS2/c23-14-5-3-6-15(11-14)25-20(27)13-29-22-18(12-24)16-7-1-2-8-17(16)21(26-22)19-9-4-10-28-19/h3-6,9-11H,1-2,7-8,13H2,(H,25,27)