propyl 4-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C19H26BrN3O5S MolecularWeight: 488.39584

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)C)Br

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)C)Br

InChI

InChI=1S/C19H26BrN3O5S/c1-4-9-27-18(26)8-7-16(24)21-19(29)23-22-17(25)11-28-15-6-5-13(12(2)3)10-14(15)20/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,22,25)(H2,21,23,24,29)