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

Systemtic Name: methyl 1-[[5-[(4-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[5-(4-methylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(4-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(4-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(p-toluidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]isonipecotic acid methyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N4O2S2/c1-12-3-5-14(6-4-12)18-16-19-21(17(24)25-16)11-20-9-7-13(8-10-20)15(22)23-2/h3-6,13H,7-11H2,1-2H3,(H,18,19)