N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[4-(piperonylthiocarbamoylamino)phenyl]benzamide Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H18FN3O3S/c23-18-4-2-1-3-17(18)21(27)25-15-6-8-16(9-7-15)26-22(30)24-12-14-5-10-19-20(11-14)29-13-28-19/h1-11H,12-13H2,(H,25,27)(H2,24,26,30)