N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-piperonyl-nicotinamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H15N3O3S/c25-20(23-11-13-7-8-16-17(10-13)27-12-26-16)14-4-3-9-22-19(14)21-24-15-5-1-2-6-18(15)28-21/h1-10H,11-12H2,(H,23,25)