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

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-(4-nitrophenyl)acrylamide Formula: C22H20N6O5S2 MolecularWeight: 512.5614

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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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N6O5S2/c1-14-13-15(2)24-21(23-14)27-35(32,33)19-10-6-17(7-11-19)25-22(34)26-20(29)12-5-16-3-8-18(9-4-16)28(30)31/h3-13H,1-2H3,(H,23,24,27)(H2,25,26,29,34)