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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-methyl-N-phenyl-acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=C3CCCCC3=C2C#N)N4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-26(17-7-3-2-4-8-17)21(28)16-30-23-20(15-24)18-9-5-6-10-19(18)22(25-23)27-11-13-29-14-12-27/h2-4,7-8H,5-6,9-14,16H2,1H3