propyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H22BrN3O5S MolecularWeight: 460.34268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O5S/c1-3-8-25-16(24)7-6-14(22)19-17(27)21-20-15(23)10-26-12-4-5-13(18)11(2)9-12/h4-5,9H,3,6-8,10H2,1-2H3,(H,20,23)(H2,19,21,22,27)