3-bromanyl-4-(2-methylpropoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C18H18BrN3O5S/c1-10(2)9-27-16-6-3-11(7-13(16)19)17(24)21-18(28)20-14-8-12(22(25)26)4-5-15(14)23/h3-8,10,23H,9H2,1-2H3,(H2,20,21,24,28)