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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetamide IUPAC Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)N)N3CCOCC3

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)N)N3CCOCC3

InChI

InChI=1S/C16H20N4O2S/c17-9-13-11-3-1-2-4-12(11)15(20-5-7-22-8-6-20)19-16(13)23-10-14(18)21/h1-8,10H2,(H2,18,21)