3-cyclooctyl-1-[(2-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-[(2-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(2-fluorophenyl)methyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(2-fluorophenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(2-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-(2-fluorobenzyl)-1-(2-pyridylmethyl)thiourea Formula: C22H28FN3S MolecularWeight: 385.541223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC=CC=C2F)CC3=CC=CC=N3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC=CC=C2F)CC3=CC=CC=N3

InChI

InChI=1S/C22H28FN3S/c23-21-14-7-6-10-18(21)16-26(17-20-13-8-9-15-24-20)22(27)25-19-11-4-2-1-3-5-12-19/h6-10,13-15,19H,1-5,11-12,16-17H2,(H,25,27)