ethyl 1-[[5-[(2-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-[(2-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2-methylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(o-toluidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25N4O2S2+ MolecularWeight: 393.5467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC=CC=C3C

InChI

InChI=1S/C18H24N4O2S2/c1-3-24-16(23)14-8-10-21(11-9-14)12-22-18(25)26-17(20-22)19-15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H,19,20)/p+1