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

Systemtic Name: methyl 1-[2-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(m-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H22N4O3S2/c1-12-4-3-5-14(10-12)19-17-20-21-18(27-17)26-11-15(23)22-8-6-13(7-9-22)16(24)25-2/h3-5,10,13H,6-9,11H2,1-2H3,(H,19,20)