N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(4-fluorophenyl)thio]propionamide Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNO3S/c19-14-2-4-15(5-3-14)24-10-7-18(21)20-12-13-1-6-16-17(11-13)23-9-8-22-16/h1-6,11H,7-10,12H2,(H,20,21)