3-phenylpropyl 5-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H34BrN3O5S MolecularWeight: 592.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrN3O5S/c1-27(2,3)20-14-15-22(21(28)17-20)36-18-24(33)30-31-26(37)29-23(32)12-7-13-25(34)35-16-8-11-19-9-5-4-6-10-19/h4-6,9-10,14-15,17H,7-8,11-13,16,18H2,1-3H3,(H,30,33)(H2,29,31,32,37)