2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(4-fluorophenyl)methyl]-N-methylacetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-fluorobenzyl)-N-methyl-acetamide Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20FNO3S/c1-21(12-14-3-5-15(20)6-4-14)19(22)13-25-16-7-8-17-18(11-16)24-10-2-9-23-17/h3-8,11H,2,9-10,12-13H2,1H3