N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C25H16N4O4S2 MolecularWeight: 500.54894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N4O4S2/c30-23(21-13-12-20(33-21)16-4-3-5-18(14-16)29(31)32)28-25(34)26-17-10-8-15(9-11-17)24-27-19-6-1-2-7-22(19)35-24/h1-14H,(H2,26,28,30,34)