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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C25H24BrN3O3S/c1-2-3-15-32-22-14-13-20(16-21(22)26)23(30)27-25(33)29-28-24(31)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,28,31)(H2,27,29,30,33)