N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[4-[oxo-[[(1-oxohexylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: N-[4-[(hexanoylcarbamothioylamino)carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(caproylthiocarbamoylamino)carbamoyl]phenyl]-2-methyl-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H26N4O3S/c1-3-4-5-10-19(27)24-22(30)26-25-20(28)16-11-13-17(14-12-16)23-21(29)18-9-7-6-8-15(18)2/h6-9,11-14H,3-5,10H2,1-2H3,(H,23,29)(H,25,28)(H2,24,26,27,30)