N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-fluorophenyl)thio]propionamide Formula: C19H19ClFNO3S MolecularWeight: 395.875463

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCSC3=CC=C(C=C3)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCSC3=CC=C(C=C3)F)Cl)OC1

InChI

InChI=1S/C19H19ClFNO3S/c20-16-10-13(11-17-19(16)25-8-1-7-24-17)12-22-18(23)6-9-26-15-4-2-14(21)3-5-15/h2-5,10-11H,1,6-9,12H2,(H,22,23)