N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]acetamide Formula: C24H26N2OS2 MolecularWeight: 422.60604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)CSCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)CSCC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C24H26N2OS2/c27-24(18-29-16-19-6-2-1-3-7-19)25-14-23(22-11-13-28-17-22)26-12-10-20-8-4-5-9-21(20)15-26/h1-9,11,13,17,23H,10,12,14-16,18H2,(H,25,27)