methyl 2-(3-methylbutanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(3-methylbutanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-(3-methylbutanoylcarbamothioylamino)benzoate CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylcarbamothioylamino)benzoate Traditional Name: 2-(isovalerylthiocarbamoylamino)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C14H18N2O3S/c1-9(2)8-12(17)16-14(20)15-11-7-5-4-6-10(11)13(18)19-3/h4-7,9H,8H2,1-3H3,(H2,15,16,17,20)