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

Systemtic Name: 2-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenyl-acetamide Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=NC=C2C1)SCC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C(=NC=C2C1)SCC(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H17N3OS/c19-10-16-15-9-5-4-6-13(15)11-20-18(16)23-12-17(22)21-14-7-2-1-3-8-14/h1-3,7-8,11H,4-6,9,12H2,(H,21,22)