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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]coumarilamide Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H19N3O3S/c1-2-6-18(24)21-14-8-5-9-15(12-14)22-20(27)23-19(25)17-11-13-7-3-4-10-16(13)26-17/h3-5,7-12H,2,6H2,1H3,(H,21,24)(H2,22,23,25,27)