2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H17N3OS/c22-17(21-10-9-13-5-1-2-6-14(13)11-21)12-23-18-19-15-7-3-4-8-16(15)20-18/h1-8H,9-12H2,(H,19,20)