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

Systemtic Name: S-methyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate Openeye Name: S-methyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[3-(2-methylpropanoylamino)phenyl]carbamothioate Traditional Name: N-[3-(isobutyrylamino)phenyl]thiocarbamic acid S-methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-8(2)11(15)13-9-5-4-6-10(7-9)14-12(16)17-3/h4-8H,1-3H3,(H,13,15)(H,14,16)