1-(5-bromanylpyridin-2-yl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea Openeye Name: 1-(5-bromo-2-pyridyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea CAS Name: 1-(5-bromo-2-pyridinyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea Traditional Name: 1-(5-bromo-2-pyridyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-10(11-2-4-13-14(8-11)22-7-6-21-13)19-16(23)20-15-5-3-12(17)9-18-15/h2-5,8-10H,6-7H2,1H3,(H2,18,19,20,23)