4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-cyano-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C23H18N4OS/c1-15-5-10-20-21(16(15)2)26-23(29-20)27(14-18-4-3-11-25-13-18)22(28)19-8-6-17(12-24)7-9-19/h3-11,13H,14H2,1-2H3