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

Systemtic Name: N-[5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate Openeye Name: N-[5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate CAS Name: N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(1-piperidin-1-iumyl)ethanimidate IUPAC Name: N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-ylethanimidate Traditional Name: N-[5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-acetimidate Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N=C(C[NH+]3CCCCC3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)N=C(C[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C18H23N5O2S2/c1-13-5-7-14(8-6-13)19-16(25)12-26-18-22-21-17(27-18)20-15(24)11-23-9-3-2-4-10-23/h5-8H,2-4,9-12H2,1H3,(H,19,25)(H,20,21,24)