[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C20H21ClN3OS3+ MolecularWeight: 451.04824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3OS3/c1-22-8-10-23(11-9-22)20(26)27-13-19(25)24-15-4-2-3-5-17(15)28-18-7-6-14(21)12-16(18)24/h2-7,12H,8-11,13H2,1H3/p+1