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

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-morpholin-4-yl-pyrazine-2-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-morpholino-pyrazine-2-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-6-(4-morpholinyl)-2-pyrazinecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-morpholin-4-ylpyrazine-2-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-6-morpholino-pyrazinamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=CC(=N4)N5CCOCC5

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=CC(=N4)N5CCOCC5

InChI

InChI=1S/C22H25N5O4S2/c28-21(17-13-23-14-19(25-17)27-5-9-29-10-6-27)24-15-2-3-16-18(12-15)33-22(26-16)32-11-4-20-30-7-1-8-31-20/h2-3,12-14,20H,1,4-11H2,(H,24,28)