4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(methylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(methylthiocarbamoyl)piperazino]sulfonylbenzamide Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C13H18N4O3S2/c1-15-13(21)16-6-8-17(9-7-16)22(19,20)11-4-2-10(3-5-11)12(14)18/h2-5H,6-9H2,1H3,(H2,14,18)(H,15,21)