N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(4-ethoxyphenyl)-1,3-benzothiazole-2-carboximidamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(4-ethoxyphenyl)-1,3-benzothiazole-2-carboximidamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N'-(4-ethoxyphenyl)-1,3-benzothiazole-2-carboxamidine CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(4-ethoxyphenyl)-1,3-benzothiazole-2-carboximidamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N'-(4-ethoxyphenyl)-1,3-benzothiazole-2-carboximidamide Traditional Name: N-[(E)-piperonylideneamino]-N'-p-phenetyl-1,3-benzothiazole-2-carboxamidine Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NN=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)N/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N4O3S/c1-2-29-18-10-8-17(9-11-18)26-23(24-27-19-5-3-4-6-22(19)32-24)28-25-14-16-7-12-20-21(13-16)31-15-30-20/h3-14H,2,15H2,1H3,(H,26,28)/b25-14+