N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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