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

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C)Br

InChI

InChI=1S/C20H16BrN3O4S/c1-11-8-14(21)9-12(2)18(11)22-20(29)23-19(25)17-7-6-16(28-17)13-4-3-5-15(10-13)24(26)27/h3-10H,1-2H3,(H2,22,23,25,29)