methyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H18BrN3O4S MolecularWeight: 404.27942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrN3O4S/c1-21-13(20)3-2-8-16-14(23)18-17-12(19)9-22-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,19)(H2,16,18,23)