methyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,6-dimethylphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NC(=O)CCC(=O)OC

InChI

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