4-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(2-furylmethylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[(2-furanylmethylamino)-sulfanylidenemethyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(2-furfurylthiocarbamoyl)piperazino]sulfonylbenzamide Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H20N4O4S2/c18-16(22)13-3-5-15(6-4-13)27(23,24)21-9-7-20(8-10-21)17(26)19-12-14-2-1-11-25-14/h1-6,11H,7-10,12H2,(H2,18,22)(H,19,26)