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

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]caprylamide Formula: C21H29N5O3S2 MolecularWeight: 463.61666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C21H29N5O3S2/c1-4-5-6-7-8-9-19(27)25-21(30)24-17-10-12-18(13-11-17)31(28,29)26-20-22-15(2)14-16(3)23-20/h10-14H,4-9H2,1-3H3,(H,22,23,26)(H2,24,25,27,30)