2,2-dimethyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/c1-23(2,3)21(28)25-22(29)24-19-9-11-20(12-10-19)27-15-13-26(14-16-27)17-18-7-5-4-6-8-18/h4-12H,13-17H2,1-3H3,(H2,24,25,28,29)/p+1