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

Systemtic Name: 3-(4-methoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-methoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-methoxyphenyl)-N-[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-methoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-methoxyphenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]acrylamide Formula: C22H21N5O5S2 MolecularWeight: 499.56264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC=N3)OC

InChI

InChI=1S/C22H21N5O5S2/c1-31-17-8-3-15(4-9-17)5-12-20(28)26-22(33)25-16-6-10-18(11-7-16)34(29,30)27-19-13-21(32-2)24-14-23-19/h3-14H,1-2H3,(H,23,24,27)(H2,25,26,28,33)