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

Systemtic Name: 3-cyclohexyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]propionamide Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC2CCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC2CCCCC2)C

InChI

InChI=1S/C21H31N3O3S/c1-14-9-11-18(13-15(14)2)27-16(3)20(26)23-24-21(28)22-19(25)12-10-17-7-5-4-6-8-17/h9,11,13,16-17H,4-8,10,12H2,1-3H3,(H,23,26)(H2,22,24,25,28)