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

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-[4-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-propargylpiperazino)phenyl]acetamide Formula: C29H30N5OS+ MolecularWeight: 496.6464

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

C#CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5OS/c1-2-16-32-17-19-33(20-18-32)25-14-12-24(13-15-25)30-28(35)22-36-29-31-26-10-6-7-11-27(26)34(29)21-23-8-4-3-5-9-23/h1,3-15H,16-22H2,(H,30,35)/p+1