S-ethyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate

Systemtic Name: S-ethyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate Openeye Name: S-ethyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate Traditional Name: N-[3-(isobutyrylamino)phenyl]thiocarbamic acid S-ethyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)NC1=CC=CC(=C1)NC(=O)C(C)C

Isomeric SMILES

CCSC(=O)NC1=CC=CC(=C1)NC(=O)C(C)C

InChI

InChI=1S/C13H18N2O2S/c1-4-18-13(17)15-11-7-5-6-10(8-11)14-12(16)9(2)3/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)