S-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) benzenecarbothioate

Systemtic Name: S-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) benzenecarbothioate Openeye Name: S-(2-oxo-2-phenothiazin-10-yl-ethyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: S-(2-oxo-2-phenothiazin-10-ylethyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H15NO2S2 MolecularWeight: 377.4793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H15NO2S2/c23-20(14-25-21(24)15-8-2-1-3-9-15)22-16-10-4-6-12-18(16)26-19-13-7-5-11-17(19)22/h1-13H,14H2