2-methoxyethyl 4-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-tert-butylbenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-19(2,3)14-7-5-13(6-8-14)17(25)21-22-18(28)20-15(23)9-10-16(24)27-12-11-26-4/h5-8H,9-12H2,1-4H3,(H,21,25)(H2,20,22,23,28)