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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H32BrN3O5S MolecularWeight: 578.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN3O5S/c1-26(2,3)19-11-12-21(20(27)16-19)35-17-23(32)29-30-25(36)28-22(31)13-14-24(33)34-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,16H,7,10,13-15,17H2,1-3H3,(H,29,32)(H2,28,30,31,36)