3-[4-[(6-bromanylpyridin-2-yl)methylsulfanyl]-3-methyl-phenyl]-1,1-dibutyl-thiourea

Systemtic Name: 3-[4-[(6-bromanylpyridin-2-yl)methylsulfanyl]-3-methyl-phenyl]-1,1-dibutyl-thiourea Openeye Name: 3-[4-[(6-bromo-2-pyridyl)methylsulfanyl]-3-methyl-phenyl]-1,1-dibutyl-thiourea CAS Name: 3-[4-[(6-bromo-2-pyridinyl)methylthio]-3-methylphenyl]-1,1-dibutylthiourea IUPAC Name: 3-[4-[(6-bromopyridin-2-yl)methylsulfanyl]-3-methylphenyl]-1,1-dibutylthiourea Traditional Name: 3-[4-[(6-bromo-2-pyridyl)methylthio]-3-methyl-phenyl]-1,1-dibutyl-thiourea Formula: C22H30BrN3S2 MolecularWeight: 480.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)NC1=CC(=C(C=C1)SCC2=NC(=CC=C2)Br)C

Isomeric SMILES

CCCCN(CCCC)C(=S)NC1=CC(=C(C=C1)SCC2=NC(=CC=C2)Br)C

InChI

InChI=1S/C22H30BrN3S2/c1-4-6-13-26(14-7-5-2)22(27)25-18-11-12-20(17(3)15-18)28-16-19-9-8-10-21(23)24-19/h8-12,15H,4-7,13-14,16H2,1-3H3,(H,25,27)