N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-(4-ethoxyphenyl)quinoline-2-carboximidamide

Systemtic Name: N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-(4-ethoxyphenyl)quinoline-2-carboximidamide Openeye Name: N-[(E)-1,3-benzothiazol-2-ylmethyleneamino]-N'-(4-ethoxyphenyl)quinoline-2-carboxamidine CAS Name: N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-(4-ethoxyphenyl)-2-quinolinecarboximidamide IUPAC Name: N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-(4-ethoxyphenyl)quinoline-2-carboximidamide Traditional Name: N-[(E)-1,3-benzothiazol-2-ylmethyleneamino]-N'-p-phenetyl-quinaldamidine Formula: C26H21N5OS MolecularWeight: 451.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3C=C2)NN=CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3C=C2)N/N=C/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N5OS/c1-2-32-20-14-12-19(13-15-20)28-26(23-16-11-18-7-3-4-8-21(18)29-23)31-27-17-25-30-22-9-5-6-10-24(22)33-25/h3-17H,2H2,1H3,(H,28,31)/b27-17+