N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[2-(o-tolyl)acetyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[2-(2-methylphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[2-(o-tolyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C22H26N4O3S/c1-3-4-9-19(27)23-18-12-10-16(11-13-18)21(29)25-26-22(30)24-20(28)14-17-8-6-5-7-15(17)2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,30)