1-(azepan-1-yl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c26-20(23-12-6-1-2-7-13-23)15-29-21-22-18-14-17(25(27)28)10-11-19(18)24(21)16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2