1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-cyclopentyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)-1-cyclopentyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluoro-phenyl)-1-cyclopentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluorophenyl)-1-cyclopentylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-fluorophenyl)-1-cyclopentylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-cyclopentyl-1-piperonyl-thiourea Formula: C20H20ClFN2O2S MolecularWeight: 406.901403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H20ClFN2O2S/c21-16-10-14(6-7-17(16)22)23-20(27)24(15-3-1-2-4-15)11-13-5-8-18-19(9-13)26-12-25-18/h5-10,15H,1-4,11-12H2,(H,23,27)