2-methoxyethyl 4-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(4-chlorobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(4-chlorobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-chlorobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C15H18ClN3O5S MolecularWeight: 387.83852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O5S/c1-23-8-9-24-13(21)7-6-12(20)17-15(25)19-18-14(22)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,18,22)(H2,17,19,20,25)