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

Systemtic Name: 2-hexoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3

InChI

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