1,3-benzothiazol-2-ylsulfanylmethyl 4-(phenylmethyl)piperazin-4-ium-1-carbodithioate

Systemtic Name: 1,3-benzothiazol-2-ylsulfanylmethyl 4-(phenylmethyl)piperazin-4-ium-1-carbodithioate Openeye Name: 1,3-benzothiazol-2-ylsulfanylmethyl 4-benzylpiperazin-4-ium-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazin-4-iumcarbodithioic acid (1,3-benzothiazol-2-ylthio)methyl ester IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl 4-benzylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-benzylpiperazin-4-ium-1-carbodithioic acid (1,3-benzothiazol-2-ylthio)methyl ester Formula: C20H22N3S4+ MolecularWeight: 432.66878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)SCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)SCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3S4/c24-20(26-15-25-19-21-17-8-4-5-9-18(17)27-19)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1