N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-5-(3-nitrophenyl)-2-furamide Formula: C19H12N4O4S2 MolecularWeight: 424.45298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O4S2/c24-17(21-18(28)22-19-20-13-6-1-2-7-16(13)29-19)15-9-8-14(27-15)11-4-3-5-12(10-11)23(25)26/h1-10H,(H2,20,21,22,24,28)