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

Systemtic Name: ethyl 1-[[5-[(4-propan-2-ylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H28N4O2S2/c1-4-26-18(25)16-9-11-23(12-10-16)13-24-20(27)28-19(22-24)21-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,21,22)/p+1