N-[6-(furan-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[6-(furan-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[6-(furan-2-carbonylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[6-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[6-(furan-2-carbonylcarbamothioylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[6-(2-furoylthiocarbamoylamino)-1,3-benzothiazol-2-yl]-2-furamide Formula: C18H12N4O4S2 MolecularWeight: 412.44228

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC(=O)C4=CC=CO4

InChI

InChI=1S/C18H12N4O4S2/c23-15(12-3-1-7-25-12)21-17(27)19-10-5-6-11-14(9-10)28-18(20-11)22-16(24)13-4-2-8-26-13/h1-9H,(H,20,22,24)(H2,19,21,23,27)