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

Systemtic Name: 5-bromanyl-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C22H18BrN3O5S MolecularWeight: 516.36442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H18BrN3O5S/c23-15-6-9-20(31-11-10-14-4-2-1-3-5-14)17(12-15)21(28)25-22(32)24-18-8-7-16(26(29)30)13-19(18)27/h1-9,12-13,27H,10-11H2,(H2,24,25,28,32)