methyl 4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(4-anilino-4-oxobutanoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5S/c1-25-15(24)10-9-13(22)18-16(26)20-19-14(23)8-7-12(21)17-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,21)(H,19,23)(H2,18,20,22,26)