5-bromanyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-17(2)16-33-22-14-13-20(27)15-21(22)24(31)28-26(34)30-29-25(32)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,23H,16H2,1-2H3,(H,29,32)(H2,28,30,31,34)