1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-cyclooctyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclooctyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3-cyclooctyl-1-(3-pyridylmethyl)thiourea Formula: C22H27ClFN3S MolecularWeight: 419.986283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H27ClFN3S/c23-20-11-6-12-21(24)19(20)16-27(15-17-8-7-13-25-14-17)22(28)26-18-9-4-2-1-3-5-10-18/h6-8,11-14,18H,1-5,9-10,15-16H2,(H,26,28)