5-bromanyl-2-methoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H18BrN3O3S/c1-29-19-12-11-17(23)13-18(19)21(28)24-22(30)26-25-20(27)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,25,27)(H2,24,26,28,30)