methyl 4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C16H23BrN2O4S MolecularWeight: 419.33382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NCCCC(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NCCCC(=O)OC)Br)OC

InChI

InChI=1S/C16H23BrN2O4S/c1-21-13-9-11(12(17)10-14(13)22-2)6-8-19-16(24)18-7-4-5-15(20)23-3/h9-10H,4-8H2,1-3H3,(H2,18,19,24)