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

Systemtic Name: 5-bromanyl-N-[(2,4-dimethyl-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[(2,4-dimethyl-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[(2,4-dimethyl-5-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(2,4-dimethyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(2,4-dimethyl-5-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C14H12BrN3O4S MolecularWeight: 398.23178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-])C

InChI

InChI=1S/C14H12BrN3O4S/c1-7-5-8(2)10(18(20)21)6-9(7)16-14(23)17-13(19)11-3-4-12(15)22-11/h3-6H,1-2H3,(H2,16,17,19,23)