N-tert-butyl-2-[4-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(1-cyclohexyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(1-cyclohexylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C25H38N5O2S+ MolecularWeight: 472.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4CCCCC4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4CCCCC4

InChI

InChI=1S/C25H37N5O2S/c1-25(2,3)27-22(31)17-28-13-15-29(16-14-28)23(32)18-33-24-26-20-11-7-8-12-21(20)30(24)19-9-5-4-6-10-19/h7-8,11-12,19H,4-6,9-10,13-18H2,1-3H3,(H,27,31)/p+1