2-[(4-ethanoyl-3-methyl-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide

Systemtic Name: 2-[(4-ethanoyl-3-methyl-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(4-sulfamoylphenyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(4-sulfamoylphenyl)morpholine-4-carbothioamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C

InChI

InChI=1S/C21H25N3O5S2/c1-14-11-17(5-8-20(14)15(2)25)29-13-18-12-24(9-10-28-18)21(30)23-16-3-6-19(7-4-16)31(22,26)27/h3-8,11,18H,9-10,12-13H2,1-2H3,(H,23,30)(H2,22,26,27)