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

Systemtic Name: ethyl 1-[[5-[(4-ethylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(4-ethylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-ethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-ethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(4-ethylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C19H26N4O2S2/c1-3-14-5-7-16(8-6-14)20-18-21-23(19(26)27-18)13-22-11-9-15(10-12-22)17(24)25-4-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,21)