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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-4-5-10-20(27)25-17-12-11-15(13-19(17)29-3)24-23(31)26-22(28)21-14(2)16-8-6-7-9-18(16)30-21/h6-9,11-13H,4-5,10H2,1-3H3,(H,25,27)(H2,24,26,28,31)