N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-fluoranyl-benzamide

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-fluoranyl-benzamide Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-4-fluoro-benzamide CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-4-fluorobenzamide IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-4-fluorobenzamide Traditional Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-4-fluoro-benzamide Formula: C21H13FN4O3S2 MolecularWeight: 452.481323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)/C=N/NC(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13FN4O3S2/c22-15-8-6-14(7-9-15)20(27)25-23-12-13-5-10-19(17(11-13)26(28)29)31-21-24-16-3-1-2-4-18(16)30-21/h1-12H,(H,25,27)/b23-12+