3-cyclohexyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]propionamide Formula: C22H29N5O5S2 MolecularWeight: 507.62616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3CCCCC3)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3CCCCC3)OC

InChI

InChI=1S/C22H29N5O5S2/c1-31-20-14-18(24-21(26-20)32-2)27-34(29,30)17-11-9-16(10-12-17)23-22(33)25-19(28)13-8-15-6-4-3-5-7-15/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,26,27)(H2,23,25,28,33)