5-(3-chloranyl-4-methyl-phenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(3-propionamidophenyl)thiocarbamoyl]-2-furamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c1-3-20(27)24-15-5-4-6-16(12-15)25-22(30)26-21(28)19-10-9-18(29-19)14-8-7-13(2)17(23)11-14/h4-12H,3H2,1-2H3,(H,24,27)(H2,25,26,28,30)