N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCCC3)C

InChI

InChI=1S/C20H25N5O3S2/c1-13-12-14(2)22-19(21-13)25-30(27,28)17-10-8-16(9-11-17)23-20(29)24-18(26)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,21,22,25)(H2,23,24,26,29)