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

Systemtic Name: methyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-(mesitylthiocarbamoylamino)butyric acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-9-7-10(2)14(11(3)8-9)17-15(21)16-12(18)5-6-13(19)20-4/h7-8H,5-6H2,1-4H3,(H2,16,17,18,21)