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

Systemtic Name: 5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-furamide Formula: C16H15BrClN3O3S MolecularWeight: 444.7306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H15BrClN3O3S/c1-2-3-14(22)19-9-4-5-10(18)11(8-9)20-16(25)21-15(23)12-6-7-13(17)24-12/h4-8H,2-3H2,1H3,(H,19,22)(H2,20,21,23,25)