N-cyclohexyl-4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine

Systemtic Name: N-cyclohexyl-4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Openeye Name: N-cyclohexyl-4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: N-cyclohexyl-4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiazolimine IUPAC Name: N-cyclohexyl-4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: cyclohexyl-[4-(2,5-dimethoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]amine Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=NC3CCCCC3)N2N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=NC3CCCCC3)N2N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C25H26N4O6S/c1-32-18-8-9-22(33-2)19(11-18)21-14-36-25(27-17-6-4-3-5-7-17)28(21)26-13-16-10-23-24(35-15-34-23)12-20(16)29(30)31/h8-14,17H,3-7,15H2,1-2H3