2-butylsulfanyl-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

Systemtic Name: 2-butylsulfanyl-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide Openeye Name: 2-butylsulfanyl-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)pyridine-4-carboxamide CAS Name: 2-(butylthio)-N-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4-pyridinecarboxamide IUPAC Name: 2-butylsulfanyl-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide Traditional Name: 2-(butylthio)-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)isonicotinamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=CC(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

Isomeric SMILES

CCCCSC1=NC=CC(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

InChI

InChI=1S/C22H26N4O3S2/c1-3-4-13-30-18-14-15(7-8-23-18)21(27)25-22-24-19-17(28-2)6-5-16(20(19)31-22)26-9-11-29-12-10-26/h5-8,14H,3-4,9-13H2,1-2H3,(H,24,25,27)