1-[4-[4-[(3-propan-2-yl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-propan-2-yl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-isopropyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-propan-2-yl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-propan-2-yl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-isopropyl-2-thioxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C23H28N4OS/c1-17(2)27-22-7-5-4-6-21(22)26(23(27)29)16-24-12-14-25(15-13-24)20-10-8-19(9-11-20)18(3)28/h4-11,17H,12-16H2,1-3H3/p+1