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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)COC1=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/c1-16(2)15-32-22-13-12-20(14-21(22)26)23(30)27-25(33)29-28-24(31)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,28,31)(H2,27,29,30,33)