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

Systemtic Name: propyl 4-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H28BrN3O5S MolecularWeight: 502.42242

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN3O5S/c1-5-10-28-18(27)9-8-16(25)22-19(30)24-23-17(26)12-29-15-7-6-13(11-14(15)21)20(2,3)4/h6-7,11H,5,8-10,12H2,1-4H3,(H,23,26)(H2,22,24,25,30)