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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H21N3O3S/c1-13-15-4-2-3-5-16(15)17(9-22)21(24-13)28-11-20(25)23-10-14-6-7-18-19(8-14)27-12-26-18/h6-8H,2-5,10-12H2,1H3,(H,23,25)