methyl 4-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C18H24N4O5S/c1-11-4-5-12(2)13(10-11)19-14(23)6-7-16(25)21-22-18(28)20-15(24)8-9-17(26)27-3/h4-5,10H,6-9H2,1-3H3,(H,19,23)(H,21,25)(H2,20,22,24,28)