2-hexoxy-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-hexoxy-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C26H34N4O4S MolecularWeight: 498.63756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCCC

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCCC

InChI

InChI=1S/C26H34N4O4S/c1-3-5-7-10-18-34-22-12-9-8-11-21(22)25(33)28-26(35)30-29-24(32)19-14-16-20(17-15-19)27-23(31)13-6-4-2/h8-9,11-12,14-17H,3-7,10,13,18H2,1-2H3,(H,27,31)(H,29,32)(H2,28,30,33,35)