N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-furamide Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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