3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]methyl]-5-(4-morpholinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-5-morpholin-4-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

Isomeric SMILES

CN1C=C(C=N1)CN(C)CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S

InChI

InChI=1S/C18H23N5O4S2/c1-20(11-14-10-19-21(2)12-14)13-23-16-9-15(3-4-17(16)27-18(23)28)29(24,25)22-5-7-26-8-6-22/h3-4,9-10,12H,5-8,11,13H2,1-2H3