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

Systemtic Name: ethyl 1-[[5-[(3-methylphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(3-methylanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(3-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(m-toluidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S2/c1-3-24-16(23)14-7-9-21(10-8-14)12-22-18(25)26-17(20-22)19-15-6-4-5-13(2)11-15/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,19,20)