N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-(2-thienylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(thiophen-2-ylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-(2-thenylthio)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C17H20N2OS2 MolecularWeight: 332.4835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C17H20N2OS2/c20-17(18-8-11-21-13-16-6-3-10-22-16)19-9-7-14-4-1-2-5-15(14)12-19/h1-6,10H,7-9,11-13H2,(H,18,20)