3-bromanyl-4-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C22H23BrN4O2S/c1-13-18(14(2)27(3)26-13)11-15-5-8-17(9-6-15)24-22(30)25-21(28)16-7-10-20(29-4)19(23)12-16/h5-10,12H,11H2,1-4H3,(H2,24,25,28,30)