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

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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)CC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H22BrN3O3S/c1-13(2)12-27-17-9-8-15(21)11-16(17)19(26)22-20(28)24-23-18(25)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,23,25)(H2,22,24,26,28)