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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C22H19ClN4O5S MolecularWeight: 486.92806

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O5S/c1-2-4-20(28)24-14-7-8-16(23)17(12-14)25-22(33)26-21(29)19-10-9-18(32-19)13-5-3-6-15(11-13)27(30)31/h3,5-12H,2,4H2,1H3,(H,24,28)(H2,25,26,29,33)