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

Systemtic Name: 2-hexoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-2-3-4-10-18-34-25-17-9-8-16-24(25)27(33)31-28(35)30-23-15-11-14-22(20-23)29-26(32)19-21-12-6-5-7-13-21/h5-9,11-17,20H,2-4,10,18-19H2,1H3,(H,29,32)(H2,30,31,33,35)