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

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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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)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H22BrN3O4S/c1-31-21-12-9-18(15-20(21)25)23(30)27-28-24(33)26-22(29)17-7-10-19(11-8-17)32-14-13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,27,30)(H2,26,28,29,33)