N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H20FN3O4S2 MolecularWeight: 437.508203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H20FN3O4S2/c20-14-1-4-16(5-2-14)29(24,25)23-9-7-22(8-10-23)19(28)21-15-3-6-17-18(13-15)27-12-11-26-17/h1-6,13H,7-12H2,(H,21,28)