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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F)OC1

InChI

InChI=1S/C18H16F3NO3S/c19-18(20,21)12-3-1-4-14(9-12)26-11-17(23)22-13-5-6-15-16(10-13)25-8-2-7-24-15/h1,3-6,9-10H,2,7-8,11H2,(H,22,23)