4-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(2-benzylsulfanylanilino)-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-oxo-2-[2-(phenylmethylthio)anilino]ethyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(2-benzylsulfanylanilino)-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-[2-(benzylthio)anilino]-2-keto-ethyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c31-25(28-23-13-7-8-14-24(23)33-20-21-9-3-1-4-10-21)19-29-15-17-30(18-16-29)26(32)27-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,27,32)(H,28,31)/p+1