N-(2-chlorophenyl)-3-[[2-cyanoethyl(methyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[[2-cyanoethyl(methyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(2-chlorophenyl)-3-[[2-cyanoethyl(methyl)amino]methyl]-2-thioxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-(2-chlorophenyl)-3-[[2-cyanoethyl(methyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(2-chlorophenyl)-3-[[2-cyanoethyl(methyl)amino]methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(2-chlorophenyl)-3-[[2-cyanoethyl(methyl)amino]methyl]-2-thioxo-1,3-benzoxazole-6-sulfonamide Formula: C18H17ClN4O3S2 MolecularWeight: 436.93558

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)OC1=S

Isomeric SMILES

CN(CCC#N)CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)OC1=S

InChI

InChI=1S/C18H17ClN4O3S2/c1-22(10-4-9-20)12-23-16-8-7-13(11-17(16)26-18(23)27)28(24,25)21-15-6-3-2-5-14(15)19/h2-3,5-8,11,21H,4,10,12H2,1H3