1-(azepan-1-yl)-2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]ethanone Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N3O3S2/c29-24(27-15-7-1-2-8-16-27)18-32-25-26-22-11-5-6-12-23(22)28(25)33(30,31)21-14-13-19-9-3-4-10-20(19)17-21/h3-6,9-14,17H,1-2,7-8,15-16,18H2