(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(2-methoxyphenyl)piperazine-1-carbodithioate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(2-methoxyphenyl)piperazine-1-carbodithioate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(2-methoxyphenyl)piperazine-1-carbodithioate CAS Name: 4-(2-methoxyphenyl)-1-piperazinecarbodithioic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(2-methoxyphenyl)piperazine-1-carbodithioate Traditional Name: 4-(2-methoxyphenyl)piperazine-1-carbodithioic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H25N3O2S3 MolecularWeight: 507.6906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H25N3O2S3/c1-31-22-11-5-2-8-19(22)27-14-16-28(17-15-27)26(32)33-18-25(30)29-20-9-3-6-12-23(20)34-24-13-7-4-10-21(24)29/h2-13H,14-18H2,1H3