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

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H16ClN3O4S/c1-22-13(21)7-6-11(19)16-14(23)18-17-12(20)8-9-2-4-10(15)5-3-9/h2-5H,6-8H2,1H3,(H,17,20)(H2,16,18,19,23)