S-ethyl N-[3-(propanoylamino)phenyl]carbamothioate

Systemtic Name: S-ethyl N-[3-(propanoylamino)phenyl]carbamothioate Openeye Name: S-ethyl N-[3-(propanoylamino)phenyl]carbamothioate CAS Name: N-[3-(1-oxopropylamino)phenyl]carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl N-[3-(propanoylamino)phenyl]carbamothioate Traditional Name: N-(3-propionamidophenyl)thiocarbamic acid S-ethyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=O)SCC

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=O)SCC

InChI

InChI=1S/C12H16N2O2S/c1-3-11(15)13-9-6-5-7-10(8-9)14-12(16)17-4-2/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)