2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide

Systemtic Name: 2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Openeye Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide CAS Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-N-(4-sulfamoylphenyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Traditional Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Formula: C20H22ClN3O5S2 MolecularWeight: 483.98878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OCC2CN(CCO2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OCC2CN(CCO2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H22ClN3O5S2/c1-13(25)18-10-14(21)2-7-19(18)29-12-16-11-24(8-9-28-16)20(30)23-15-3-5-17(6-4-15)31(22,26)27/h2-7,10,16H,8-9,11-12H2,1H3,(H,23,30)(H2,22,26,27)