N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-morpholin-4-yl-pyrazine-2-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-morpholin-4-yl-pyrazine-2-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-morpholino-pyrazine-2-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-6-(4-morpholinyl)-2-pyrazinecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-6-morpholin-4-ylpyrazine-2-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-6-morpholino-pyrazinamide Formula: C23H25N5O2S2 MolecularWeight: 467.6069

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4

InChI

InChI=1S/C23H25N5O2S2/c1-2-3-4-5-6-13-31-23-27-18-8-7-17(14-20(18)32-23)25-22(29)19-15-24-16-21(26-19)28-9-11-30-12-10-28/h7-8,14-16H,2-3,6,9-13H2,1H3,(H,25,29)