1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-cyclohex-3-enylmethyl)-1-[3-(1-imidazolyl)propyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-1-(3-imidazol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C21H25F3N4S MolecularWeight: 422.51021

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CC(CC=C1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4S/c22-21(23,24)18-8-4-9-19(14-18)26-20(29)28(15-17-6-2-1-3-7-17)12-5-11-27-13-10-25-16-27/h1-2,4,8-10,13-14,16-17H,3,5-7,11-12,15H2,(H,26,29)