N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-6-morpholin-4-yl-pyrazine-2-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-6-morpholin-4-yl-pyrazine-2-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-6-morpholino-pyrazine-2-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-6-(4-morpholinyl)-2-pyrazinecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-6-morpholin-4-ylpyrazine-2-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-6-morpholino-pyrazinamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=CC(=N3)N4CCOCC4)OC

InChI

InChI=1S/C22H27N5O3S2/c1-22(2,29-3)6-11-31-21-26-16-5-4-15(12-18(16)32-21)24-20(28)17-13-23-14-19(25-17)27-7-9-30-10-8-27/h4-5,12-14H,6-11H2,1-3H3,(H,24,28)