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

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C26H31N5O4S2 MolecularWeight: 541.68544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C26H31N5O4S2/c1-4-5-6-9-16-35-23-11-8-7-10-22(23)24(32)30-26(36)29-20-12-14-21(15-13-20)37(33,34)31-25-27-18(2)17-19(3)28-25/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,27,28,31)(H2,29,30,32,36)