methyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3,5-dimethylphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-9-6-10(2)8-11(7-9)15-14(20)16-12(17)4-5-13(18)19-3/h6-8H,4-5H2,1-3H3,(H2,15,16,17,20)