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

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N5O3S2/c1-15-14-16(2)24-21(23-15)27-32(29,30)19-11-9-18(10-12-19)25-22(31)26-20(28)13-8-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,27)(H2,25,26,28,31)