N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C16H22ClN3O3S MolecularWeight: 371.88218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)COC1=CC(=C(C(=C1)C)Cl)C

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)COC1=CC(=C(C(=C1)C)Cl)C

InChI

InChI=1S/C16H22ClN3O3S/c1-4-5-6-13(21)18-16(24)20-19-14(22)9-23-12-7-10(2)15(17)11(3)8-12/h7-8H,4-6,9H2,1-3H3,(H,19,22)(H2,18,20,21,24)