N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-imine bromide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-imine bromide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-(4-ethoxyphenyl)-3-phenyl-thiazol-2-imine bromide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-ethoxyphenyl)-3-phenyl-2-thiazolimine bromide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-ethoxyphenyl)-3-phenyl-1,3-thiazol-2-imine bromide Traditional Name: (Z)-(3-phenyl-4-p-phenetyl-4-thiazolin-2-ylidene)-[(E)-piperonylideneamino]amine bromide Formula: C25H21BrN3O3S- MolecularWeight: 523.42154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=NN=CC3=CC4=C(C=C3)OCO4)N2C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CS/C(=N\N=C\C3=CC4=C(C=C3)OCO4)/N2C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H21N3O3S.BrH/c1-2-29-21-11-9-19(10-12-21)22-16-32-25(28(22)20-6-4-3-5-7-20)27-26-15-18-8-13-23-24(14-18)31-17-30-23;/h3-16H,2,17H2,1H3;1H/p-1/b26-15+,27-25-;