[2-(tert-butylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazin-4-iumcarboximidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-benzyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C24H33N4OS+ MolecularWeight: 425.61002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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