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

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-(2,5-diethoxyphenyl)ethyl]thiourea Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)CCNC(=S)NC2=NC=C(C=C2)Br

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)CCNC(=S)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-3-23-15-6-7-16(24-4-2)13(11-15)9-10-20-18(25)22-17-8-5-14(19)12-21-17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)