2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]methyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanylmethyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]methyl]-1H-benzimidazole-4-carboxamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCSCC3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCSCC3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C20H22N4OS/c21-20(25)16-6-3-7-17-19(16)23-18(22-17)13-26-11-10-24-9-8-14-4-1-2-5-15(14)12-24/h1-7H,8-13H2,(H2,21,25)(H,22,23)