N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]coumarilamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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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=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H22N4O2S/c1-14-19(15(2)27(3)26-14)12-16-8-10-18(11-9-16)24-23(30)25-22(28)21-13-17-6-4-5-7-20(17)29-21/h4-11,13H,12H2,1-3H3,(H2,24,25,28,30)