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

Systemtic Name: 3-cyclooctyl-1-[(3-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(3-fluorophenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(3-fluorophenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(3-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-(3-fluorobenzyl)-1-(3-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=C2)F)CC3=CN=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC(=CC=C2)F)CC3=CN=CC=C3

InChI

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