2-[[4-cyano-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]-N-thiophen-2-yl-ethanethioamide

Systemtic Name: 2-[[4-cyano-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]-N-thiophen-2-yl-ethanethioamide Openeye Name: 2-[[4-cyano-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]-N-(2-thienyl)thioacetamide CAS Name: 2-[[4-cyano-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]-N-thiophen-2-ylethanethioamide IUPAC Name: 2-[[4-cyano-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]-N-thiophen-2-ylethanethioamide Traditional Name: 2-[[4-cyano-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]oxy]-N-(2-thienyl)thioacetamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)OCC(=S)NC4=CC=CS4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)OCC(=S)NC4=CC=CS4)C#N

InChI

InChI=1S/C23H21N3O2S2/c1-27-16-10-8-15(9-11-16)22-18-6-3-2-5-17(18)19(13-24)23(26-22)28-14-20(29)25-21-7-4-12-30-21/h4,7-12H,2-3,5-6,14H2,1H3,(H,25,29)