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

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]butanamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]butyramide Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S2/c1-4-5-15(23)21-17(26)20-13-6-8-14(9-7-13)27(24,25)22-16-18-11(2)10-12(3)19-16/h6-10H,4-5H2,1-3H3,(H,18,19,22)(H2,20,21,23,26)