1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H25N3O4S/c1-28-16-6-7-17-18(13-16)25-23(24-17)31-14-22(27)26-9-2-4-19(26)15-5-8-20-21(12-15)30-11-3-10-29-20/h5-8,12-13,19H,2-4,9-11,14H2,1H3,(H,24,25)