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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetamide Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)OC1

InChI

InChI=1S/C20H18FN3O3S/c21-14-3-1-4-16(11-14)24-8-7-22-20(24)28-13-19(25)23-15-5-6-17-18(12-15)27-10-2-9-26-17/h1,3-8,11-12H,2,9-10,13H2,(H,23,25)