N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CO2)C

InChI

InChI=1S/C14H13N3O4S/c1-8-6-9(2)12(10(7-8)17(19)20)15-14(22)16-13(18)11-4-3-5-21-11/h3-7H,1-2H3,(H2,15,16,18,22)