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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)thio]acetamide Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FNO3S/c18-12-2-5-14(6-3-12)23-11-17(20)19-13-4-7-15-16(10-13)22-9-1-8-21-15/h2-7,10H,1,8-9,11H2,(H,19,20)