N-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-bis(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-bis(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,6-difluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,6-difluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(2,6-difluorophenyl)sulfonyl-N-piperonyl-piperazine-1-carbothioamide Formula: C19H19F2N3O4S2 MolecularWeight: 455.498666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C19H19F2N3O4S2/c20-14-2-1-3-15(21)18(14)30(25,26)24-8-6-23(7-9-24)19(29)22-11-13-4-5-16-17(10-13)28-12-27-16/h1-5,10H,6-9,11-12H2,(H,22,29)