methyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H19ClN4O5S MolecularWeight: 414.86386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C16H19ClN4O5S/c1-26-15(25)9-8-13(23)19-16(27)21-20-14(24)7-6-12(22)18-11-5-3-2-4-10(11)17/h2-5H,6-9H2,1H3,(H,18,22)(H,20,24)(H2,19,21,23,27)