3-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea

Systemtic Name: 3-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea Openeye Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea CAS Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea IUPAC Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-[(2-methoxyphenyl)methyl]thiourea Traditional Name: 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-cyclopentyl-1-o-anisyl-thiourea Formula: C21H22ClF3N2OS MolecularWeight: 442.92539

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2CCCC2)C(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1CN(C2CCCC2)C(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H22ClF3N2OS/c1-28-19-9-5-2-6-14(19)13-27(16-7-3-4-8-16)20(29)26-18-11-10-15(22)12-17(18)21(23,24)25/h2,5-6,9-12,16H,3-4,7-8,13H2,1H3,(H,26,29)