N-[[2-(furan-2-ylcarbonylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[2-(furan-2-ylcarbonylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[2-[[2-furanyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[2-(2-furoylamino)-1,3-benzothiazol-6-yl]thiocarbamoyl]-piperonylamide Formula: C21H14N4O5S2 MolecularWeight: 466.48966

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)N=C(S4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)N=C(S4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C21H14N4O5S2/c26-18(11-3-6-14-16(8-11)30-10-29-14)24-20(31)22-12-4-5-13-17(9-12)32-21(23-13)25-19(27)15-2-1-7-28-15/h1-9H,10H2,(H,23,25,27)(H2,22,24,26,31)