S-ethyl N-[3-methyl-1-[(4-methylphenyl)carbonylamino]butan-2-yl]carbamothioate

Systemtic Name: S-ethyl N-[3-methyl-1-[(4-methylphenyl)carbonylamino]butan-2-yl]carbamothioate Openeye Name: S-ethyl N-[2-methyl-1-[[(4-methylbenzoyl)amino]methyl]propyl]carbamothioate CAS Name: N-[3-methyl-1-[[(4-methylphenyl)-oxomethyl]amino]butan-2-yl]carbamothioic acid S-ethyl ester IUPAC Name: S-ethyl N-[3-methyl-1-[(4-methylbenzoyl)amino]butan-2-yl]carbamothioate Traditional Name: N-[2-methyl-1-[(p-toluoylamino)methyl]propyl]thiocarbamic acid S-ethyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-5-21-16(20)18-14(11(2)3)10-17-15(19)13-8-6-12(4)7-9-13/h6-9,11,14H,5,10H2,1-4H3,(H,17,19)(H,18,20)