3-bromanyl-4-(2-methoxyethoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

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