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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 5-bromo-N-[(hydrocinnamoylamino)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H26BrN3O3S/c1-15(2)12-13-29-19-10-9-17(23)14-18(19)21(28)24-22(30)26-25-20(27)11-8-16-6-4-3-5-7-16/h3-7,9-10,14-15H,8,11-13H2,1-2H3,(H,25,27)(H2,24,26,28,30)