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

Systemtic Name: S-methyl N-[3-(2-methylpentanoylamino)phenyl]carbamothioate Openeye Name: S-methyl N-[3-(2-methylpentanoylamino)phenyl]carbamothioate CAS Name: N-[3-[(2-methyl-1-oxopentyl)amino]phenyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[3-(2-methylpentanoylamino)phenyl]carbamothioate Traditional Name: N-[3-(2-methylpentanoylamino)phenyl]thiocarbamic acid S-methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-4-6-10(2)13(17)15-11-7-5-8-12(9-11)16-14(18)19-3/h5,7-10H,4,6H2,1-3H3,(H,15,17)(H,16,18)