3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methylpyridin-3-yl)methyl]urea

Systemtic Name: 3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methylpyridin-3-yl)methyl]urea Openeye Name: 3-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methyl-3-pyridyl)methyl]urea CAS Name: 3-[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]-1-methyl-1-[(6-methyl-3-pyridinyl)methyl]urea IUPAC Name: 3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methylpyridin-3-yl)methyl]urea Traditional Name: 3-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-1-methyl-1-[(6-methyl-3-pyridyl)methyl]urea Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CN(C)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

Isomeric SMILES

CC1=NC=C(C=C1)CN(C)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC

InChI

InChI=1S/C21H25N5O3S/c1-14-4-5-15(12-22-14)13-25(2)21(27)24-20-23-18-17(28-3)7-6-16(19(18)30-20)26-8-10-29-11-9-26/h4-7,12H,8-11,13H2,1-3H3,(H,23,24,27)