3-bromanyl-4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-21(2,3)16-11-10-15(13-17(16)22)19(27)23-20(28)25-24-18(26)12-9-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,26)(H2,23,25,27,28)