ethyl 1-[[5-[(4-methoxyphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-[(4-methoxyphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(4-methoxyanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(p-anisidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O3S2/c1-3-25-16(23)13-8-10-21(11-9-13)12-22-18(26)27-17(20-22)19-14-4-6-15(24-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,19,20)