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

Systemtic Name: 5-bromanyl-N-[(2,2-diphenylethanoylamino)carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-2-hexoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H30BrN3O3S/c1-2-3-4-11-18-35-24-17-16-22(29)19-23(24)26(33)30-28(36)32-31-27(34)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-17,19,25H,2-4,11,18H2,1H3,(H,31,34)(H2,30,32,33,36)