N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]piazthiole-5-carboxamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC4=NSN=C4C=C3)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC4=NSN=C4C=C3)C5=CSC=C5

InChI

InChI=1S/C22H20N4OS2/c27-22(16-5-6-19-20(11-16)25-29-24-19)23-12-21(18-8-10-28-14-18)26-9-7-15-3-1-2-4-17(15)13-26/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,23,27)