5-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C23H20BrN3O5S MolecularWeight: 530.391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H20BrN3O5S/c1-31-21-10-8-17(27(29)30)14-19(21)25-23(33)26-22(28)18-13-16(24)7-9-20(18)32-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H2,25,26,28,33)