N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]coumarilamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)OC

InChI

InChI=1S/C22H23N3O4S/c1-3-4-9-20(26)24-16-11-10-15(13-18(16)28-2)23-22(30)25-21(27)19-12-14-7-5-6-8-17(14)29-19/h5-8,10-13H,3-4,9H2,1-2H3,(H,24,26)(H2,23,25,27,30)