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

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[2-[5-methoxy-2-(2-prop-2-ynoxyethoxy)phenyl]ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[2-[5-methoxy-2-(2-prop-2-ynoxyethoxy)phenyl]ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[2-[5-methoxy-2-(2-prop-2-ynoxyethoxy)phenyl]ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-[5-methoxy-2-(2-prop-2-ynoxyethoxy)phenyl]ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[2-[5-methoxy-2-(2-propargyloxyethoxy)phenyl]ethyl]thiourea Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-3-10-26-11-12-27-18-6-5-17(25-2)13-15(18)8-9-22-20(28)24-19-7-4-16(21)14-23-19/h1,4-7,13-14H,8-12H2,2H3,(H2,22,23,24,28)