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

Systemtic Name: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-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]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C29H30N4O2S/c30-19-25-23-13-7-8-14-24(23)28(33-15-17-35-18-16-33)32-29(25)36-20-26(34)31-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,27H,7-8,13-18,20H2,(H,31,34)