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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenethyl-acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NCCC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NCCC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H28N4O2S/c25-16-21-19-8-4-5-9-20(19)23(28-12-14-30-15-13-28)27-24(21)31-17-22(29)26-11-10-18-6-2-1-3-7-18/h1-3,6-7H,4-5,8-15,17H2,(H,26,29)