ethyl 4-oxidanylidene-4-[(phenylcarbamoylamino)carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[(phenylcarbamoylamino)carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[(phenylcarbamoylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[anilino(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(phenylcarbamoylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(phenylcarbamoylamino)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C14H18N4O4S/c1-2-22-12(20)9-8-11(19)16-14(23)18-17-13(21)15-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,15,17,21)(H2,16,18,19,23)