2-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC

InChI

InChI=1S/C22H27N3O3S/c1-3-5-8-14-28-19-13-7-6-12-18(19)21(27)25-22(29)24-17-11-9-10-16(15-17)23-20(26)4-2/h6-7,9-13,15H,3-5,8,14H2,1-2H3,(H,23,26)(H2,24,25,27,29)