N-[(E)-(4-octoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(4-octoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(4-octoxyphenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(4-octoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(4-octoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(4-octoxybenzylidene)amino]amine Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=N/NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3OS/c1-2-3-4-5-6-9-16-26-19-14-12-18(13-15-19)17-23-25-22-24-20-10-7-8-11-21(20)27-22/h7-8,10-15,17H,2-6,9,16H2,1H3,(H,24,25)/b23-17+