3-methyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoyl]butyramide Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3S2/c1-11(2)10-14(22)20-16(25)19-12-4-6-13(7-5-12)26(23,24)21-15-17-8-3-9-18-15/h3-9,11H,10H2,1-2H3,(H,17,18,21)(H2,19,20,22,25)