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

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

Systemtic Name:4-heptoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
Openeye Name:4-heptoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
CAS Name:4-heptoxy-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
Traditional Name:4-heptoxy-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide
Formula: C24H31N3O3S
MolecularWeight: 441.58624
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2


Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2


InChI

InChI=1S/C24H31N3O3S/c1-2-3-4-5-9-18-30-21-15-13-20(14-16-21)23(29)25-24(31)27-26-22(28)17-12-19-10-7-6-8-11-19/h6-8,10-11,13-16H,2-5,9,12,17-18H2,1H3,(H,26,28)(H2,25,27,29,31)


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