N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-phenylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-phenylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(1-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(1-phenylimidazol-2-yl)thio]acetamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CSC3=NC=CN3C4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CSC3=NC=CN3C4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C20H18N4O5S/c25-19(13-30-20-21-7-8-23(20)14-5-2-1-3-6-14)22-15-11-17-18(12-16(15)24(26)27)29-10-4-9-28-17/h1-3,5-8,11-12H,4,9-10,13H2,(H,22,25)