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

Systemtic Name: 5-(3,4-dichlorophenyl)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dichlorophenyl)-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dichlorophenyl)-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dichlorophenyl)-N-[(4-methyl-2-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dichlorophenyl)-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C19H13Cl2N3O4S MolecularWeight: 450.29522

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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)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13Cl2N3O4S/c1-10-2-5-14(15(8-10)24(26)27)22-19(29)23-18(25)17-7-6-16(28-17)11-3-4-12(20)13(21)9-11/h2-9H,1H3,(H2,22,23,25,29)