6-morpholin-4-yl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide

Systemtic Name: 6-morpholin-4-yl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide Openeye Name: 6-morpholino-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide CAS Name: 6-(4-morpholinyl)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-2-pyrazinecarboxamide IUPAC Name: 6-morpholin-4-yl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide Traditional Name: 6-morpholino-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]pyrazinamide Formula: C22H20N6O2S2 MolecularWeight: 464.5632

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CN=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CN=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=CN=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CN=CC=C5

InChI

InChI=1S/C22H20N6O2S2/c29-21(18-12-24-13-20(26-18)28-6-8-30-9-7-28)25-16-3-4-17-19(10-16)32-22(27-17)31-14-15-2-1-5-23-11-15/h1-5,10-13H,6-9,14H2,(H,25,29)