1,3-benzodioxol-5-yl-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(3-phenyl-2-thioxo-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(3-phenyl-2-thioxo-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC2=C(C1)N(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H28N4O3S/c31-25(19-10-11-23-24(16-19)33-18-32-23)28-14-12-27(13-15-28)17-29-21-8-4-5-9-22(21)30(26(29)34)20-6-2-1-3-7-20/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17-18H2/p+1