methyl 4-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-acetamidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-9(20)16-11-5-3-10(4-6-11)14(23)18-19-15(25)17-12(21)7-8-13(22)24-2/h3-6H,7-8H2,1-2H3,(H,16,20)(H,18,23)(H2,17,19,21,25)