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

Systemtic Name: 3-bromanyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C24H22BrN3O3S/c1-2-14-31-21-13-12-19(15-20(21)25)22(29)26-24(32)28-27-23(30)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,27,30)(H2,26,28,29,32)