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

Systemtic Name: ethyl 4-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S/c1-4-28-18(27)10-9-16(25)21-19(29)23-22-17(26)8-7-15(24)20-14-11-12(2)5-6-13(14)3/h5-6,11H,4,7-10H2,1-3H3,(H,20,24)(H,22,26)(H2,21,23,25,29)