2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3O3S/c1-13(14-7-8-17-18(11-14)26-10-4-9-25-17)21-19(24)12-27-20-22-15-5-2-3-6-16(15)23-20/h2-3,5-8,11,13H,4,9-10,12H2,1H3,(H,21,24)(H,22,23)