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

Systemtic Name: 5-(3,4-dichlorophenyl)-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dichlorophenyl)-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dichlorophenyl)-N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dichlorophenyl)-N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dichlorophenyl)-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C20H15Cl2N3O4S MolecularWeight: 464.3218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl2N3O4S/c1-10-3-6-15(25(27)28)18(11(10)2)23-20(30)24-19(26)17-8-7-16(29-17)12-4-5-13(21)14(22)9-12/h3-9H,1-2H3,(H2,23,24,26,30)