5-bromanyl-2-(2-methylpropoxy)-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c1-11(2)10-26-16-8-7-12(19)9-13(16)17(23)21-18(27)20-14-5-3-4-6-15(14)22(24)25/h3-9,11H,10H2,1-2H3,(H2,20,21,23,27)