N-[3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]phenyl]valeramide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)COC2=CC=CC=C2C

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)COC2=CC=CC=C2C

InChI

InChI=1S/C21H25N3O3S/c1-3-4-12-19(25)22-16-9-7-10-17(13-16)23-21(28)24-20(26)14-27-18-11-6-5-8-15(18)2/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,25)(H2,23,24,26,28)