N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]pyridine-4-carboxamide

Systemtic Name: N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]pyridine-4-carboxamide Openeye Name: N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]pyridine-4-carboxamide CAS Name: N-[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-pyridinecarboxamide IUPAC Name: N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]pyridine-4-carboxamide Traditional Name: N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]isonicotinamide Formula: C18H16N6O4S2 MolecularWeight: 444.48744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H16N6O4S2/c1-28-16-10-15(20-11-21-16)24-30(26,27)14-4-2-13(3-5-14)22-18(29)23-17(25)12-6-8-19-9-7-12/h2-11H,1H3,(H,20,21,24)(H2,22,23,25,29)