ethyl 4-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H30N4O5S/c1-5-34-21(31)15-14-20(30)27-24(35)29-28-23(33)17-8-12-19(13-9-17)26-22(32)16-6-10-18(11-7-16)25(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,26,32)(H,28,33)(H2,27,29,30,35)