3-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5-(4-morpholinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C21H24FN3O5S2 MolecularWeight: 481.560763

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C21H24FN3O5S2/c1-23(13-15-3-5-19(28-2)17(22)11-15)14-25-18-12-16(4-6-20(18)30-21(25)31)32(26,27)24-7-9-29-10-8-24/h3-6,11-12H,7-10,13-14H2,1-2H3