N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]hexanamide Formula: C24H33N4OS+ MolecularWeight: 425.61002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N4OS/c1-2-3-5-10-23(29)26-24(30)25-21-11-13-22(14-12-21)28-17-15-27(16-18-28)19-20-8-6-4-7-9-20/h4,6-9,11-14H,2-3,5,10,15-19H2,1H3,(H2,25,26,29,30)/p+1