(E)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4S2/c1-30-20-13-18(22-14-23-20)26-32(28,29)17-10-8-16(9-11-17)24-21(31)25-19(27)12-7-15-5-3-2-4-6-15/h2-14H,1H3,(H,22,23,26)(H2,24,25,27,31)/b12-7+