N-(4-methoxy-2-nitro-phenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[[6-[[3-nitro-4-(2-pyridylsulfanyl)phenyl]methyleneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[6-[[3-nitro-4-(2-pyridinylthio)phenyl]methylideneamino]-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[[6-[(3-nitro-4-pyridin-2-ylsulfanylphenyl)methylideneamino]-1,3-benzothiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[6-[[3-nitro-4-(2-pyridylthio)benzylidene]amino]-1,3-benzothiazol-2-yl]thio]acetamide Formula: C28H20N6O6S3 MolecularWeight: 632.69

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=C(C=C4)SC5=CC=CC=N5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H20N6O6S3/c1-40-19-7-9-20(22(14-19)33(36)37)31-26(35)16-41-28-32-21-8-6-18(13-25(21)43-28)30-15-17-5-10-24(23(12-17)34(38)39)42-27-4-2-3-11-29-27/h2-15H,16H2,1H3,(H,31,35)