methyl 4-[[[(2S)-2-(3-bromanylphenoxy)propanoyl]amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[(2S)-2-(3-bromanylphenoxy)propanoyl]amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[(2S)-2-(3-bromophenoxy)propanoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2S)-2-(3-bromophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-2-(3-bromophenoxy)propanoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[(2S)-2-(3-bromophenoxy)propanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20BrN3O4S MolecularWeight: 418.306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCCC(=O)OC)OC1=CC(=CC=C1)Br

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCCCC(=O)OC)OC1=CC(=CC=C1)Br

InChI

InChI=1S/C15H20BrN3O4S/c1-10(23-12-6-3-5-11(16)9-12)14(21)18-19-15(24)17-8-4-7-13(20)22-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,18,21)(H2,17,19,24)/t10-/m0/s1