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

Systemtic Name: phenethyl 4-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-tert-butylbenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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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)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O4S/c1-24(2,3)19-11-9-18(10-12-19)22(30)26-27-23(32)25-20(28)13-14-21(29)31-16-15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,26,30)(H2,25,27,28,32)