1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-cyclopentyl-1-(2,4-dimethoxybenzyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C22H25F3N2O2S MolecularWeight: 438.50631

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C22H25F3N2O2S/c1-28-19-11-10-15(20(13-19)29-2)14-27(18-8-3-4-9-18)21(30)26-17-7-5-6-16(12-17)22(23,24)25/h5-7,10-13,18H,3-4,8-9,14H2,1-2H3,(H,26,30)