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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(4-methyl-2-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-12-4-7-16(17(10-12)24(26)27)22-21(29)23-20(25)19-9-8-18(28-19)15-6-5-13(2)14(3)11-15/h4-11H,1-3H3,(H2,22,23,25,29)