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

Systemtic Name: methyl 1-[[5-[(4-propan-2-ylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(4-isopropylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(4-propan-2-ylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(4-propan-2-ylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-cumidino-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H27N4O2S2+ MolecularWeight: 407.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H26N4O2S2/c1-13(2)14-4-6-16(7-5-14)20-18-21-23(19(26)27-18)12-22-10-8-15(9-11-22)17(24)25-3/h4-7,13,15H,8-12H2,1-3H3,(H,20,21)/p+1