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

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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