5-bromanyl-N-[(3-phenylpropanoylamino)carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-phenylpropanoylamino)carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 5-bromo-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[(3-phenylpropanoylamino)carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[(hydrocinnamoylamino)thiocarbamoyl]-2-isopropoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

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