N-(3-chloranyl-4-fluoranyl-phenyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[cyclohexyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Formula: C18H23ClFN3OS MolecularWeight: 383.911123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H23ClFN3OS/c19-15-12-14(6-7-16(15)20)21-18(25)23-10-8-22(9-11-23)17(24)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,21,25)