methyl 4-oxidanylidene-4-[(phenylcarbamothioylamino)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(phenylcarbamothioylamino)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(phenylcarbamothioylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[anilino(sulfanylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(phenylcarbamothioylamino)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(phenylthiocarbamoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S2/c1-20-11(19)8-7-10(18)15-13(22)17-16-12(21)14-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16,21)(H2,15,17,18,22)