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

Systemtic Name: methyl 4-[[2-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-isobutoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-(2-methylpropoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methylpropoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-isobutoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H22N2O4S/c1-11(2)10-22-13-7-5-4-6-12(13)17-16(23)18-14(19)8-9-15(20)21-3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,23)