methyl 4-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-methoxy-4-oxidanylidene-butanoyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-methoxy-4-oxo-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methoxy-1,4-dioxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxy-4-oxobutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-methoxy-butanoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H16N2O5S/c1-20-12(18)8-7-11(17)16-14(22)15-10-5-3-9(4-6-10)13(19)21-2/h3-6H,7-8H2,1-2H3,(H2,15,16,17,22)