N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide CAS Name: N-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-cyclohexylpiperazino)phenyl]acetamide Formula: C32H38N5OS+ MolecularWeight: 540.74202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)CC6=CC=CC=C6

InChI

InChI=1S/C32H37N5OS/c38-31(24-39-32-34-29-13-7-8-14-30(29)37(32)23-25-9-3-1-4-10-25)33-26-15-17-28(18-16-26)36-21-19-35(20-22-36)27-11-5-2-6-12-27/h1,3-4,7-10,13-18,27H,2,5-6,11-12,19-24H2,(H,33,38)/p+1