N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-piperonyl-propionamide Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FNO3S/c18-13-2-4-14(5-3-13)23-8-7-17(20)19-10-12-1-6-15-16(9-12)22-11-21-15/h1-6,9H,7-8,10-11H2,(H,19,20)