3-phenylpropyl 5-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(4-tert-butylphenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(4-tert-butylbenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-tert-butylbenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-26(2,3)21-16-14-20(15-17-21)24(32)28-29-25(34)27-22(30)12-7-13-23(31)33-18-8-11-19-9-5-4-6-10-19/h4-6,9-10,14-17H,7-8,11-13,18H2,1-3H3,(H,28,32)(H2,27,29,30,34)