5-(3-nitrophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[[3-(valerylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C23H22N4O5S MolecularWeight: 466.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S/c1-2-3-10-21(28)24-16-7-5-8-17(14-16)25-23(33)26-22(29)20-12-11-19(32-20)15-6-4-9-18(13-15)27(30)31/h4-9,11-14H,2-3,10H2,1H3,(H,24,28)(H2,25,26,29,33)