3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propyl]-1H-benzimidazol-2-one Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCCCN3C4=CC=CC=C4NC3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCCCN3C4=CC=CC=C4NC3=O)OC1

InChI

InChI=1S/C19H20N2O3S/c22-19-20-15-5-1-2-6-16(15)21(19)9-3-12-25-14-7-8-17-18(13-14)24-11-4-10-23-17/h1-2,5-8,13H,3-4,9-12H2,(H,20,22)