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

Systemtic Name: 3-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide CAS Name: 3-methoxy-N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]benzamide IUPAC Name: 3-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-methoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-14-20(15(2)26(3)25-14)12-16-8-10-18(11-9-16)23-22(29)24-21(27)17-6-5-7-19(13-17)28-4/h5-11,13H,12H2,1-4H3,(H2,23,24,27,29)