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

Systemtic Name: 3-bromanyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-2-16-33-23-14-9-19(17-22(23)27)25(32)30-26(34)29-21-12-10-20(11-13-21)28-24(31)15-8-18-6-4-3-5-7-18/h3-7,9-14,17H,2,8,15-16H2,1H3,(H,28,31)(H2,29,30,32,34)