1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-[(1-ethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-[(1-ethylbenzimidazol-2-yl)thio]ethanone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H27N3O3S/c1-2-26-20-8-4-3-7-18(20)25-24(26)31-16-23(28)27-12-5-9-19(27)17-10-11-21-22(15-17)30-14-6-13-29-21/h3-4,7-8,10-11,15,19H,2,5-6,9,12-14,16H2,1H3/t19-/m0/s1