5-bromanyl-N-[(4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[(4-pentoxyphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 5-bromo-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[(4-pentoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-5-bromo-coumarilamide Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-2-3-4-11-26-17-8-6-16(7-9-17)23-21(28)24-20(25)19-13-14-12-15(22)5-10-18(14)27-19/h5-10,12-13H,2-4,11H2,1H3,(H2,23,24,25,28)