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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C(=CC=C3)[N+](=O)[O-])C)C

InChI

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