ethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethyl-6-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCC)C

InChI

InChI=1S/C16H22N2O3S/c1-4-12-8-6-7-11(3)15(12)18-16(22)17-13(19)9-10-14(20)21-5-2/h6-8H,4-5,9-10H2,1-3H3,(H2,17,18,19,22)