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

Systemtic Name: N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCCC

InChI

InChI=1S/C25H32N4O4S/c1-3-5-9-17-33-21-11-8-7-10-20(21)24(32)27-25(34)29-28-23(31)18-13-15-19(16-14-18)26-22(30)12-6-4-2/h7-8,10-11,13-16H,3-6,9,12,17H2,1-2H3,(H,26,30)(H,28,31)(H2,27,29,32,34)