N-[2-(4-cyclohexylpiperazin-1-yl)-5-fluoranyl-phenyl]pyridine-4-carbothioamide

Systemtic Name: N-[2-(4-cyclohexylpiperazin-1-yl)-5-fluoranyl-phenyl]pyridine-4-carbothioamide Openeye Name: N-[2-(4-cyclohexylpiperazin-1-yl)-5-fluoro-phenyl]pyridine-4-carbothioamide CAS Name: N-[2-(4-cyclohexyl-1-piperazinyl)-5-fluorophenyl]-4-pyridinecarbothioamide IUPAC Name: N-[2-(4-cyclohexylpiperazin-1-yl)-5-fluorophenyl]pyridine-4-carbothioamide Traditional Name: N-[2-(4-cyclohexylpiperazino)-5-fluoro-phenyl]thioisonicotinamide Formula: C22H27FN4S MolecularWeight: 398.539983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)F)NC(=S)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)F)NC(=S)C4=CC=NC=C4

InChI

InChI=1S/C22H27FN4S/c23-18-6-7-21(20(16-18)25-22(28)17-8-10-24-11-9-17)27-14-12-26(13-15-27)19-4-2-1-3-5-19/h6-11,16,19H,1-5,12-15H2,(H,25,28)