N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H23N5O4S2/c1-4-31-18-7-5-6-16(13-18)20(28)26-22(32)25-17-8-10-19(11-9-17)33(29,30)27-21-23-14(2)12-15(3)24-21/h5-13H,4H2,1-3H3,(H,23,24,27)(H2,25,26,28,32)