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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)CCNC(=S)NC2=C(C=CC=N2)Br

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)CCNC(=S)NC2=C(C=CC=N2)Br

InChI

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