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

Systemtic Name: (E)-3-(4-bromophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[[4-[(3-methoxy-2-pyrazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]acrylamide Formula: C21H18BrN5O4S2 MolecularWeight: 548.43272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN5O4S2/c1-31-20-19(23-12-13-24-20)27-33(29,30)17-9-7-16(8-10-17)25-21(32)26-18(28)11-4-14-2-5-15(22)6-3-14/h2-13H,1H3,(H,23,27)(H2,25,26,28,32)/b11-4+