N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H18FN3O4S2 MolecularWeight: 423.481623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN3O4S2/c19-13-1-4-15(5-2-13)28(23,24)22-9-7-21(8-10-22)18(27)20-14-3-6-16-17(11-14)26-12-25-16/h1-6,11H,7-10,12H2,(H,20,27)