N-[4-(butanoylcarbamothioylamino)-2-chloranyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-(butanoylcarbamothioylamino)-2-chloranyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-(butanoylcarbamothioylamino)-2-chloro-phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(butanoylcarbamothioylamino)-2-chlorophenyl]furan-2-carboxamide Traditional Name: N-[4-(butyrylthiocarbamoylamino)-2-chloro-phenyl]-2-furamide Formula: C16H16ClN3O3S MolecularWeight: 365.83454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-2-4-14(21)20-16(24)18-10-6-7-12(11(17)9-10)19-15(22)13-5-3-8-23-13/h3,5-9H,2,4H2,1H3,(H,19,22)(H2,18,20,21,24)