5,7-dimethoxy-6-phenylmethoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine

Systemtic Name: 5,7-dimethoxy-6-phenylmethoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine Openeye Name: 6-benzyloxy-5,7-dimethoxy-N-(3-pyridylmethyl)-1,3-benzothiazol-2-amine CAS Name: 5,7-dimethoxy-6-phenylmethoxy-N-(3-pyridinylmethyl)-1,3-benzothiazol-2-amine IUPAC Name: 5,7-dimethoxy-6-phenylmethoxy-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine Traditional Name: (6-benzoxy-5,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amine Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(S2)NCC3=CN=CC=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(S2)NCC3=CN=CC=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-26-18-11-17-21(29-22(25-17)24-13-16-9-6-10-23-12-16)20(27-2)19(18)28-14-15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,24,25)