2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluorophenyl)butanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-fluorophenyl)butanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluorophenyl)butyramide Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20FNO3S/c1-2-18(19(22)21-14-6-4-13(20)5-7-14)25-15-8-9-16-17(12-15)24-11-3-10-23-16/h4-9,12,18H,2-3,10-11H2,1H3,(H,21,22)