3-bromanyl-4-(2-methylpropoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-18(2)17-34-24-13-12-20(15-23(24)28)26(33)31-27(35)30-22-10-6-9-21(16-22)29-25(32)14-11-19-7-4-3-5-8-19/h3-10,12-13,15-16,18H,11,14,17H2,1-2H3,(H,29,32)(H2,30,31,33,35)