2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C28H31N6OS+ MolecularWeight: 499.65034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CN4N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CSC4=NC(=CN4N)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6OS/c29-34-20-26(23-9-5-2-6-10-23)31-28(34)36-21-27(35)30-24-11-13-25(14-12-24)33-17-15-32(16-18-33)19-22-7-3-1-4-8-22/h1-14,20H,15-19,21,29H2,(H,30,35)/p+1