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

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]propionamide Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3S2/c1-4-14(22)20-16(25)19-12-5-7-13(8-6-12)26(23,24)21-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H,17,18,21)(H2,19,20,22,25)