N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazino]phenyl]thiocarbamoyl]valeramide Formula: C23H29FN4OS MolecularWeight: 428.565963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C23H29FN4OS/c1-2-3-8-22(29)26-23(30)25-19-9-11-20(12-10-19)28-15-13-27(14-16-28)17-18-6-4-5-7-21(18)24/h4-7,9-12H,2-3,8,13-17H2,1H3,(H2,25,26,29,30)