N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C=CC=C1C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C=CC=C1C)C

InChI

InChI=1S/C16H23N3O3S/c1-4-5-9-13(20)17-16(23)19-18-14(21)10-22-15-11(2)7-6-8-12(15)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,21)(H2,17,19,20,23)