3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea

Systemtic Name: 3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea Openeye Name: 3-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-(1-methyl-4-piperidyl)urea CAS Name: 3-[4-methoxy-7-(4-oxanyl)-1,3-benzothiazol-2-yl]-1-methyl-1-(1-methyl-4-piperidinyl)urea IUPAC Name: 3-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea Traditional Name: 3-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)-1-methyl-1-(1-methyl-4-piperidyl)urea Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCOCC4)OC

Isomeric SMILES

CN1CCC(CC1)N(C)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCOCC4)OC

InChI

InChI=1S/C21H30N4O3S/c1-24-10-6-15(7-11-24)25(2)21(26)23-20-22-18-17(27-3)5-4-16(19(18)29-20)14-8-12-28-13-9-14/h4-5,14-15H,6-13H2,1-3H3,(H,22,23,26)