3-[[2-cyanoethyl(methyl)amino]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[2-cyanoethyl(methyl)amino]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC)OC1=S

Isomeric SMILES

CN(CCC#N)CN1C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC)OC1=S

InChI

InChI=1S/C19H20N4O4S2/c1-22(11-5-10-20)13-23-16-12-14(8-9-18(16)27-19(23)28)29(24,25)21-15-6-3-4-7-17(15)26-2/h3-4,6-9,12,21H,5,11,13H2,1-2H3