methyl 4-[2-(4-bromophenyl)sulfanylethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-(4-bromophenyl)sulfanylethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(4-bromophenyl)sulfanylethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-[(4-bromophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromophenyl)sulfanylethylcarbamothioylamino]butanoate Traditional Name: 4-[2-[(4-bromophenyl)thio]ethylthiocarbamoylamino]butyric acid methyl ester Formula: C14H19BrN2O2S2 MolecularWeight: 391.34686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCSC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)CCCNC(=S)NCCSC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H19BrN2O2S2/c1-19-13(18)3-2-8-16-14(20)17-9-10-21-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3,(H2,16,17,20)