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

Systemtic Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]propionamide Formula: C16H19N5O5S2 MolecularWeight: 425.48256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O5S2/c1-4-13(22)19-16(27)17-10-5-7-11(8-6-10)28(23,24)21-12-9-14(25-2)20-15(18-12)26-3/h5-9H,4H2,1-3H3,(H,18,20,21)(H2,17,19,22,27)