4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(5-nitro-2-furanyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NN=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c25-19(23-21-11-15-9-10-18(28-15)24(26)27)14-7-5-13(6-8-14)12-29-20-22-16-3-1-2-4-17(16)30-20/h1-11H,12H2,(H,23,25)/b21-11+