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

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-(2-but-3-ynoxy-5-methoxy-phenyl)ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-but-3-ynoxy-5-methoxy-phenyl)ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-(2-but-3-ynoxy-5-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(2-but-3-ynoxy-5-methoxyphenyl)ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-(2-but-3-ynoxy-5-methoxy-phenyl)ethyl]thiourea Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2S/c1-3-4-11-25-17-7-6-16(24-2)12-14(17)9-10-21-19(26)23-18-8-5-15(20)13-22-18/h1,5-8,12-13H,4,9-11H2,2H3,(H2,21,22,23,26)