N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-fluorophenyl)sulfanyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-fluorophenyl)thio]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-fluorophenyl)sulfanylpropanamide Traditional Name: 3-[(2-fluorophenyl)thio]-N-homopiperonyl-propionamide Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCSC3=CC=CC=C3F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCSC3=CC=CC=C3F

InChI

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