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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-6-morpholin-4-yl-pyrazine-2-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-6-morpholino-pyrazine-2-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-6-(4-morpholinyl)-2-pyrazinecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-6-morpholin-4-ylpyrazine-2-carboxamide Traditional Name: 6-morpholino-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]pyrazinamide Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=CC(=N4)N5CCOCC5

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=CC(=N4)N5CCOCC5

InChI

InChI=1S/C24H23N5O3S2/c1-31-20-5-3-2-4-16(20)15-33-24-28-18-7-6-17(12-21(18)34-24)26-23(30)19-13-25-14-22(27-19)29-8-10-32-11-9-29/h2-7,12-14H,8-11,15H2,1H3,(H,26,30)