N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C25H32N4O4S MolecularWeight: 484.61098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-4-5-8-15-33-21-10-7-6-9-20(21)24(32)27-25(34)29-28-23(31)18-11-13-19(14-12-18)26-22(30)16-17(2)3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,26,30)(H,28,31)(H2,27,29,32,34)