1-(5-bromanylpyridin-2-yl)-3-[2-[2-(3-cyanopropoxy)-5-methoxy-phenyl]ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-[2-(3-cyanopropoxy)-5-methoxy-phenyl]ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-[2-(3-cyanopropoxy)-5-methoxy-phenyl]ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-[2-(3-cyanopropoxy)-5-methoxyphenyl]ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-[2-(3-cyanopropoxy)-5-methoxyphenyl]ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-[2-(3-cyanopropoxy)-5-methoxy-phenyl]ethyl]thiourea Formula: C19H21BrN4O2S MolecularWeight: 449.36464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCC#N)CCNC(=S)NC2=NC=C(C=C2)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCC#N)CCNC(=S)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C19H21BrN4O2S/c1-25-16-5-6-17(26-11-3-2-9-21)14(12-16)8-10-22-19(27)24-18-7-4-15(20)13-23-18/h4-7,12-13H,2-3,8,10-11H2,1H3,(H2,22,23,24,27)