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4-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

4-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name:4-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
Openeye Name:4-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
CAS Name:N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide
IUPAC Name:4-pentoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
Traditional Name:4-amoxy-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide
Formula: C22H27N3O3S
MolecularWeight: 413.53308
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2


Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2


InChI

InChI=1S/C22H27N3O3S/c1-2-3-7-16-28-19-13-11-18(12-14-19)21(27)23-22(29)25-24-20(26)15-10-17-8-5-4-6-9-17/h4-6,8-9,11-14H,2-3,7,10,15-16H2,1H3,(H,24,26)(H2,23,25,27,29)


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