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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-cyclooctyl-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-cyclooctyl-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclooctyl-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-cyclooctyl-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3-cyclooctyl-1-(tetrahydrofurfuryl)thiourea Formula: C21H30ClFN2OS MolecularWeight: 412.992103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2CCCO2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2CCCO2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H30ClFN2OS/c22-19-11-6-12-20(23)18(19)15-25(14-17-10-7-13-26-17)21(27)24-16-8-4-2-1-3-5-9-16/h6,11-12,16-17H,1-5,7-10,13-15H2,(H,24,27)