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

Systemtic Name: 2-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[3-(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=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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