2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)Br)OC1

InChI

InChI=1S/C20H18BrN3O3S/c21-14-4-2-13(3-5-14)16-11-22-20(24-16)28-12-19(25)23-15-6-7-17-18(10-15)27-9-1-8-26-17/h2-7,10-11H,1,8-9,12H2,(H,22,24)(H,23,25)