1-(azepan-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N3O2S/c1-21-12-6-7-13-14(10-12)18-16(17-13)22-11-15(20)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,18)