N-[(E)-(3-bromanyl-4-phenylmethoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(3-bromanyl-4-phenylmethoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(4-benzyloxy-3-bromo-phenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(4-benzoxy-3-bromo-benzylidene)amino]amine Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=NNC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=N/NC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C21H16BrN3OS/c22-17-12-16(10-11-19(17)26-14-15-6-2-1-3-7-15)13-23-25-21-24-18-8-4-5-9-20(18)27-21/h1-13H,14H2,(H,24,25)/b23-13+