N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-2,6-bis(fluoranyl)benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluoro-benzamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2,6-difluorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,6-difluorobenzamide Traditional Name: 2,6-difluoro-N-(4-piperonylpiperazine-1-carbothioyl)benzamide Formula: C20H19F2N3O3S MolecularWeight: 419.444966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H19F2N3O3S/c21-14-2-1-3-15(22)18(14)19(26)23-20(29)25-8-6-24(7-9-25)11-13-4-5-16-17(10-13)28-12-27-16/h1-5,10H,6-9,11-12H2,(H,23,26,29)