methyl 4-[2-(3-bromanyl-4-methoxy-phenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(3-bromanyl-4-methoxy-phenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(3-bromo-4-methoxy-phenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(3-bromo-4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-bromo-4-methoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(3-bromo-4-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)CCNC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

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

InChI

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