5-chloranyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 5-chloranyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 5-chloro-3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 5-chloro-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 5-chloro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 5-chloro-3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C21H23ClN3S2+ MolecularWeight: 417.01042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CN3C4=C(C=CC(=C4)Cl)SC3=S

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CN3C4=C(C=CC(=C4)Cl)SC3=S

InChI

InChI=1S/C21H22ClN3S2/c22-18-8-9-20-19(15-18)25(21(26)27-20)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+1/b7-4+