1-(4-morpholin-4-yl-3-nitro-phenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine

Systemtic Name: 1-(4-morpholin-4-yl-3-nitro-phenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Openeye Name: 1-(4-morpholino-3-nitro-phenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]-N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]methanimine IUPAC Name: 1-(4-morpholin-4-yl-3-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Traditional Name: (4-morpholino-3-nitro-benzylidene)-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C25H21N5O5S2 MolecularWeight: 535.59474

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5S2/c31-29(32)20-5-1-17(2-6-20)16-36-25-27-21-7-4-19(14-24(21)37-25)26-15-18-3-8-22(23(13-18)30(33)34)28-9-11-35-12-10-28/h1-8,13-15H,9-12,16H2