N-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate

Systemtic Name: N-[5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate Openeye Name: N-[5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate CAS Name: N-[5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(1-piperidin-1-iumyl)ethanimidate IUPAC Name: N-[5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-ylethanimidate Traditional Name: N-[5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-acetimidate Formula: C23H23N5O2S3 MolecularWeight: 497.65602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=NC2=NN=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=NC2=NN=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[O-]

InChI

InChI=1S/C23H23N5O2S3/c29-20(14-27-12-6-1-7-13-27)24-22-25-26-23(33-22)31-15-21(30)28-16-8-2-4-10-18(16)32-19-11-5-3-9-17(19)28/h2-5,8-11H,1,6-7,12-15H2,(H,24,25,29)