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

Systemtic Name: 3-phenylpropyl 4-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-tert-butylbenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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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)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O4S/c1-25(2,3)20-13-11-19(12-14-20)23(31)27-28-24(33)26-21(29)15-16-22(30)32-17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14H,7,10,15-17H2,1-3H3,(H,27,31)(H2,26,28,29,33)