N-phenyl-2-[4-[(3-prop-2-enyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-2-[4-[(3-prop-2-enyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(3-allyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-phenyl-2-[4-[(3-prop-2-enyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-phenyl-2-[4-[(3-prop-2-enyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(3-allyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N(C1=S)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C=CCN1C2=CC=CC=C2N(C1=S)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-2-12-27-20-10-6-7-11-21(20)28(23(27)30)18-26-15-13-25(14-16-26)17-22(29)24-19-8-4-3-5-9-19/h2-11H,1,12-18H2,(H,24,29)/p+1