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

Systemtic Name: 3-phenylpropyl 5-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C33H38N4O5S MolecularWeight: 602.74362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C33H38N4O5S/c1-33(2,3)26-18-14-24(15-19-26)30(40)34-27-20-16-25(17-21-27)31(41)36-37-32(43)35-28(38)12-7-13-29(39)42-22-8-11-23-9-5-4-6-10-23/h4-6,9-10,14-21H,7-8,11-13,22H2,1-3H3,(H,34,40)(H,36,41)(H2,35,37,38,43)