3-butoxy-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 3-butoxy-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-butoxy-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 3-butoxy-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-butoxy-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-butoxy-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C26H27N3O2S/c1-4-5-13-31-22-11-8-9-20(16-22)25(30)29(17-21-10-6-7-12-27-21)26-28-24-19(3)14-18(2)15-23(24)32-26/h6-12,14-16H,4-5,13,17H2,1-3H3