4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4)OC1

InChI

InChI=1S/C24H21N3O3S/c28-23(25-18-10-11-21-22(14-18)30-13-3-12-29-21)17-8-6-16(7-9-17)15-31-24-26-19-4-1-2-5-20(19)27-24/h1-2,4-11,14H,3,12-13,15H2,(H,25,28)(H,26,27)