3-bromanyl-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide

Systemtic Name: 3-bromanyl-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide Openeye Name: 3-bromo-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methyleneamino]benzamide CAS Name: 3-bromo-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]phenyl]methylideneamino]benzamide IUPAC Name: 3-bromo-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]benzamide Traditional Name: 3-bromo-N-[(E)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]benzylidene]amino]benzamide Formula: C21H12BrN5O5S2 MolecularWeight: 558.38448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NN=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)N/N=C/C2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12BrN5O5S2/c22-14-3-1-2-13(9-14)20(28)25-23-11-12-4-7-18(17(8-12)27(31)32)33-21-24-16-6-5-15(26(29)30)10-19(16)34-21/h1-11H,(H,25,28)/b23-11+