N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(4-morpholin-4-yl-3-nitro-phenyl)methanimine

Systemtic Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(4-morpholin-4-yl-3-nitro-phenyl)methanimine Openeye Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(4-morpholino-3-nitro-phenyl)methanimine CAS Name: N-[2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]-1-[4-(4-morpholinyl)-3-nitrophenyl]methanimine IUPAC Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine Traditional Name: [2-(1H-benzimidazol-2-ylmethylthio)-1,3-benzothiazol-6-yl]-(4-morpholino-3-nitro-benzylidene)amine Formula: C26H22N6O3S2 MolecularWeight: 530.62128

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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=NC6=CC=CC=C6N5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC5=NC6=CC=CC=C6N5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N6O3S2/c33-32(34)23-13-17(5-8-22(23)31-9-11-35-12-10-31)15-27-18-6-7-21-24(14-18)37-26(30-21)36-16-25-28-19-3-1-2-4-20(19)29-25/h1-8,13-15H,9-12,16H2,(H,28,29)