4-tert-butyl-N-[2-[[(2-methoxypyridin-3-yl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[[(2-methoxypyridin-3-yl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[[(2-methoxy-3-pyridyl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[[(2-methoxy-3-pyridinyl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[[(2-methoxypyridin-3-yl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[(2-methoxy-3-pyridyl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CNC4=C(N=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CNC4=C(N=CC=C4)OC

InChI

InChI=1S/C25H26N4O2S/c1-25(2,3)17-9-7-16(8-10-17)23(30)28-18-11-12-21-20(14-18)29-22(32-21)15-27-19-6-5-13-26-24(19)31-4/h5-14,27H,15H2,1-4H3,(H,28,30)