N-(3-chloranyl-4-fluoranyl-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-cyclohexyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-cyclohexylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-cyclohexyl-piperazin-4-ium-1-carbothioamide Formula: C17H24ClFN3S+ MolecularWeight: 356.908963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H23ClFN3S/c18-15-12-13(6-7-16(15)19)20-17(23)22-10-8-21(9-11-22)14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11H2,(H,20,23)/p+1