1-(5-bromanylpyridin-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-homoveratryl-thiourea Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S/c1-21-13-5-3-11(9-14(13)22-2)7-8-18-16(23)20-15-6-4-12(17)10-19-15/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20,23)