2-methoxyethyl 4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(4-isobutoxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-isobutoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C19H27N3O6S/c1-13(2)12-28-15-6-4-14(5-7-15)18(25)21-22-19(29)20-16(23)8-9-17(24)27-11-10-26-3/h4-7,13H,8-12H2,1-3H3,(H,21,25)(H2,20,22,23,29)