3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5-p-phenetyl-1,3,4-oxadiazole-2-thione Formula: C28H31N4O2S+ MolecularWeight: 487.63634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-2-33-25-15-13-24(14-16-25)27-29-32(28(35)34-27)21-30-17-19-31(20-18-30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,2,17-21H2,1H3/p+1