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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4N3)OC1

InChI

InChI=1S/C18H16N2O3S/c21-15(11-24-18-19-13-4-1-2-5-14(13)20-18)12-6-7-16-17(10-12)23-9-3-8-22-16/h1-2,4-7,10H,3,8-9,11H2,(H,19,20)