N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3-prop-2-enyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-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-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(3-prop-2-enyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-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-(5-methylisoxazol-3-yl)acetamide Formula: C21H27N6O2S+ MolecularWeight: 427.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4N(C3=S)CC=C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4N(C3=S)CC=C

InChI

InChI=1S/C21H26N6O2S/c1-3-8-26-17-6-4-5-7-18(17)27(21(26)30)15-25-11-9-24(10-12-25)14-20(28)22-19-13-16(2)29-23-19/h3-7,13H,1,8-12,14-15H2,2H3,(H,22,23,28)/p+1