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

Systemtic Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]butanamide CAS Name: N-[[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]butyramide Formula: C22H28FN4OS+ MolecularWeight: 415.547323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H27FN4OS/c1-2-5-21(28)25-22(29)24-18-8-10-19(11-9-18)27-14-12-26(13-15-27)16-17-6-3-4-7-20(17)23/h3-4,6-11H,2,5,12-16H2,1H3,(H2,24,25,28,29)/p+1