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

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole-2-thione Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C20H23N3OS2/c1-2-24-18-9-5-3-7-16(18)22-13-11-21(12-14-22)15-23-17-8-4-6-10-19(17)26-20(23)25/h3-10H,2,11-15H2,1H3/p+1