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

Systemtic Name: 6-morpholin-4-yl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6-morpholino-pyrazine-2-carboxamide CAS Name: 6-(4-morpholinyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-pyrazinecarboxamide IUPAC Name: 6-morpholin-4-yl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-6-morpholino-pyrazinamide Formula: C21H25N5O2S3 MolecularWeight: 475.6505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4

InChI

InChI=1S/C21H25N5O2S3/c1-14(2)29-9-10-30-21-25-16-4-3-15(11-18(16)31-21)23-20(27)17-12-22-13-19(24-17)26-5-7-28-8-6-26/h3-4,11-14H,5-10H2,1-2H3,(H,23,27)