4-(1-benzofuran-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine

Systemtic Name: 4-(1-benzofuran-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine Openeye Name: 4-(benzofuran-2-yl)-N-(4-isopropylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(2-benzofuranyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(4-propan-2-ylphenyl)-2-thiazolimine IUPAC Name: 4-(1-benzofuran-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine Traditional Name: [4-(benzofuran-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]-p-cumenyl-amine Formula: C28H22N4O5S MolecularWeight: 526.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=CC=CC=C4O3)N=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=CC=CC=C4O3)N=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6

InChI

InChI=1S/C28H22N4O5S/c1-17(2)18-7-9-21(10-8-18)30-28-31(23(15-38-28)25-11-19-5-3-4-6-24(19)37-25)29-14-20-12-26-27(36-16-35-26)13-22(20)32(33)34/h3-15,17H,16H2,1-2H3