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

Systemtic Name: N-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-bromo-3-methyl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-bromo-3-methylphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C19H14BrN3O4S MolecularWeight: 460.30116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O4S/c1-11-9-13(5-6-15(11)20)21-19(28)22-18(24)17-8-7-16(27-17)12-3-2-4-14(10-12)23(25)26/h2-10H,1H3,(H2,21,22,24,28)