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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-2,3,4,5,6-pentakis(fluoranyl)benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,3,4,5,6-pentafluoro-benzamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2,3,4,5,6-pentafluorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-2,3,4,5,6-pentafluorobenzamide Traditional Name: 2,3,4,5,6-pentafluoro-N-(4-piperonylpiperazine-1-carbothioyl)benzamide Formula: C20H16F5N3O3S MolecularWeight: 473.416356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F5N3O3S/c21-14-13(15(22)17(24)18(25)16(14)23)19(29)26-20(32)28-5-3-27(4-6-28)8-10-1-2-11-12(7-10)31-9-30-11/h1-2,7H,3-6,8-9H2,(H,26,29,32)