N-[(3,5-dimethylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(3,5-dimethylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3,5-dimethylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(3,5-dimethylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3,5-dimethylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(3,5-dimethylphenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-12-8-13(2)10-15(9-12)21-20(28)22-19(24)18-7-6-17(27-18)14-4-3-5-16(11-14)23(25)26/h3-11H,1-2H3,(H2,21,22,24,28)