methyl 4-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C15H19N3O5S/c1-22-11-5-3-10(4-6-11)9-13(20)17-18-15(24)16-12(19)7-8-14(21)23-2/h3-6H,7-9H2,1-2H3,(H,17,20)(H2,16,18,19,24)