N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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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(=C3C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3C)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N3O4S/c1-12-5-7-16(11-14(12)3)18-9-10-19(29-18)21(26)24-22(30)23-20-15(4)13(2)6-8-17(20)25(27)28/h5-11H,1-4H3,(H2,23,24,26,30)