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

Systemtic Name: 4-(1-benzofuran-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine Openeye Name: 4-(benzofuran-2-yl)-N-isopropyl-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-propan-2-yl-2-thiazolimine IUPAC Name: 4-(1-benzofuran-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine Traditional Name: [4-(benzofuran-2-yl)-2-isopropylimino-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1N(C(=CS1)C2=CC3=CC=CC=C3O2)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC(C)N=C1N(C(=CS1)C2=CC3=CC=CC=C3O2)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H18N4O5S/c1-13(2)24-22-25(17(11-32-22)19-7-14-5-3-4-6-18(14)31-19)23-10-15-8-20-21(30-12-29-20)9-16(15)26(27)28/h3-11,13H,12H2,1-2H3