3-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-1-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-1-[(4-fluorophenyl)methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-1-[(4-fluorophenyl)methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-1-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-1-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-cyclohexyl-1-(4-fluorobenzyl)-3-piperonyl-thiourea Formula: C22H25FN2O2S MolecularWeight: 400.509503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25FN2O2S/c23-18-9-6-16(7-10-18)14-25(19-4-2-1-3-5-19)22(28)24-13-17-8-11-20-21(12-17)27-15-26-20/h6-12,19H,1-5,13-15H2,(H,24,28)