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

Systemtic Name: 4-hexoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O3S/c1-2-3-4-8-21-35-26-18-12-23(13-19-26)28(34)32-29(36)31-25-16-14-24(15-17-25)30-27(33)20-11-22-9-6-5-7-10-22/h5-7,9-10,12-19H,2-4,8,11,20-21H2,1H3,(H,30,33)(H2,31,32,34,36)