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

Systemtic Name: 3-phenylpropyl 5-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H32BrN3O5S MolecularWeight: 578.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN3O5S/c1-18(2)20-13-14-22(21(27)16-20)35-17-24(32)29-30-26(36)28-23(31)11-6-12-25(33)34-15-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-14,16,18H,6-7,10-12,15,17H2,1-2H3,(H,29,32)(H2,28,30,31,36)