3-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: 3-phenethyloxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-phenethyloxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-2-23(29)26-20-11-7-12-21(17-20)27-25(32)28-24(30)19-10-6-13-22(16-19)31-15-14-18-8-4-3-5-9-18/h3-13,16-17H,2,14-15H2,1H3,(H,26,29)(H2,27,28,30,32)