[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C16H21N4O2S3+ MolecularWeight: 397.55854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C16H20N4O2S3/c1-19-5-7-20(8-6-19)16(23)24-10-14(21)18-15-17-12-4-3-11(22-2)9-13(12)25-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18,21)/p+1