4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-(1,3-benzothiazol-2-yl)phenolate

Systemtic Name: 4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-(1,3-benzothiazol-2-yl)phenolate Openeye Name: 4-(benzofuran-2-carbonylcarbamothioylamino)-2-(1,3-benzothiazol-2-yl)phenolate CAS Name: 4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-(1,3-benzothiazol-2-yl)phenolate IUPAC Name: 4-(1-benzofuran-2-carbonylcarbamothioylamino)-2-(1,3-benzothiazol-2-yl)phenolate Traditional Name: 4-(benzofuran-2-carbonylthiocarbamoylamino)-2-(1,3-benzothiazol-2-yl)phenolate Formula: C23H14N3O3S2- MolecularWeight: 444.50556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H15N3O3S2/c27-17-10-9-14(12-15(17)22-25-16-6-2-4-8-20(16)31-22)24-23(30)26-21(28)19-11-13-5-1-3-7-18(13)29-19/h1-12,27H,(H2,24,26,28,30)/p-1