3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[[3-(valerylamino)phenyl]thiocarbamoyl]coumarilamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C22H23N3O3S/c1-3-4-12-19(26)23-15-8-7-9-16(13-15)24-22(29)25-21(27)20-14(2)17-10-5-6-11-18(17)28-20/h5-11,13H,3-4,12H2,1-2H3,(H,23,26)(H2,24,25,27,29)