N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]octanamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]octanamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]octanamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]caprylamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C(C)OC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C(C)OC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C20H31N3O3S/c1-5-6-7-8-9-10-18(24)21-20(27)23-22-19(25)16(4)26-17-12-11-14(2)15(3)13-17/h11-13,16H,5-10H2,1-4H3,(H,22,25)(H2,21,23,24,27)