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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]ethanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H23N3O3S/c26-21(14-29-22-23-16-5-1-2-6-17(16)24-22)25-10-3-7-18(25)15-8-9-19-20(13-15)28-12-4-11-27-19/h1-2,5-6,8-9,13,18H,3-4,7,10-12,14H2,(H,23,24)