5-(4-bromophenyl)-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-furamide Formula: C22H19BrClN3O3S MolecularWeight: 520.82656

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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)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrClN3O3S/c1-2-3-20(28)25-15-8-9-16(24)17(12-15)26-22(31)27-21(29)19-11-10-18(30-19)13-4-6-14(23)7-5-13/h4-12H,2-3H2,1H3,(H,25,28)(H2,26,27,29,31)