methyl 4-[2-(5-bromanyl-2-methoxy-phenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(5-bromanyl-2-methoxy-phenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(5-bromo-2-methoxy-phenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(5-bromo-2-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-bromo-2-methoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(5-bromo-2-methoxy-phenyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19BrN2O3S/c1-23-16-8-5-14(19)11-13(16)9-10-20-18(25)21-15-6-3-12(4-7-15)17(22)24-2/h3-8,11H,9-10H2,1-2H3,(H2,20,21,25)