N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-2-furamide Formula: C21H17Cl2N3O3S MolecularWeight: 462.34898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3O3S/c1-2-19(27)24-14-7-8-15(23)16(11-14)25-21(30)26-20(28)18-10-9-17(29-18)12-3-5-13(22)6-4-12/h3-11H,2H2,1H3,(H,24,27)(H2,25,26,28,30)