1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]ethanone Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3S/c29-23(26-13-12-17-6-4-5-7-18(17)15-26)16-32-24-25-21-14-20(28(30)31)10-11-22(21)27(24)19-8-2-1-3-9-19/h1-11,14H,12-13,15-16H2