ethyl (E)-4-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(4-acetamidobenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C16H18N4O5S/c1-3-25-14(23)9-8-13(22)18-16(26)20-19-15(24)11-4-6-12(7-5-11)17-10(2)21/h4-9H,3H2,1-2H3,(H,17,21)(H,19,24)(H2,18,20,22,26)/b9-8+