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

Systemtic Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H21N3OS/c1-14-16-9-5-6-10-17(16)18(11-21)20(23-14)25-13-19(24)22-12-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-10,12-13H2,1H3,(H,22,24)