5-bromanyl-N-[(2-pentan-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2-pentan-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[[2-(1-methylbutyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[(2-pentan-2-ylanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(2-pentan-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[[2-(1-methylbutyl)phenyl]thiocarbamoyl]coumarilamide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-3-6-13(2)16-7-4-5-8-17(16)23-21(27)24-20(25)19-12-14-11-15(22)9-10-18(14)26-19/h4-5,7-13H,3,6H2,1-2H3,(H2,23,24,25,27)