methyl 4-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(1R)-1-(4-bromophenyl)ethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(1R)-1-(4-bromophenyl)ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C14H19BrN2O2S MolecularWeight: 359.28186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=S)NCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O2S/c1-10(11-5-7-12(15)8-6-11)17-14(20)16-9-3-4-13(18)19-2/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,20)/t10-/m1/s1