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

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazino]phenyl]thiocarbamoyl]hexanamide Formula: C24H31FN4OS MolecularWeight: 442.592543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN4OS/c1-2-3-4-9-23(30)27-24(31)26-20-10-12-21(13-11-20)29-16-14-28(15-17-29)18-19-7-5-6-8-22(19)25/h5-8,10-13H,2-4,9,14-18H2,1H3,(H2,26,27,30,31)