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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C20H16FN3O4S MolecularWeight: 413.422143

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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=CC(=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O4S/c1-11-3-4-13(9-12(11)2)17-7-8-18(28-17)19(25)23-20(29)22-14-5-6-15(21)16(10-14)24(26)27/h3-10H,1-2H3,(H2,22,23,25,29)