N-[(4-hexanoylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4-hexanoylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(4-hexanoylphenyl)carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[4-(1-oxohexyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(4-hexanoylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(4-caproylphenyl)thiocarbamoyl]-3-methyl-coumarilamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C23H24N2O3S/c1-3-4-5-9-19(26)16-11-13-17(14-12-16)24-23(29)25-22(27)21-15(2)18-8-6-7-10-20(18)28-21/h6-8,10-14H,3-5,9H2,1-2H3,(H2,24,25,27,29)