N-[(E)-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-(4-benzyloxy-3-iodo-5-methoxy-phenyl)methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-(4-benzoxy-3-iodo-5-methoxy-benzylidene)amino]amine Formula: C22H18IN3O2S MolecularWeight: 515.36669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)I)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC3=CC=CC=C3S2)I)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18IN3O2S/c1-27-19-12-16(11-17(23)21(19)28-14-15-7-3-2-4-8-15)13-24-26-22-25-18-9-5-6-10-20(18)29-22/h2-13H,14H2,1H3,(H,25,26)/b24-13+