5-(3,4-dimethylphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(3-propionamidophenyl)thiocarbamoyl]-2-furamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-4-21(27)24-17-6-5-7-18(13-17)25-23(30)26-22(28)20-11-10-19(29-20)16-9-8-14(2)15(3)12-16/h5-13H,4H2,1-3H3,(H,24,27)(H2,25,26,28,30)