N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]coumarilamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N4O3S/c1-13-18(20(27)25(24(13)2)15-9-4-3-5-10-15)22-21(29)23-19(26)17-12-14-8-6-7-11-16(14)28-17/h3-12H,1-2H3,(H2,22,23,26,29)