5-(1,3-benzodioxol-5-yl)-3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thione Formula: C27H28N4O3S+2 MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CC[NH+]1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H26N4O3S/c35-27-31(28-26(34-27)22-11-12-23-24(17-22)33-19-32-23)18-29-13-15-30(16-14-29)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,25H,13-16,18-19H2/p+2