2-methylpropyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Openeye Name: isobutyl 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate CAS Name: 4-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Traditional Name: 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid isobutyl ester Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCNCC4

Isomeric SMILES

CC(C)COC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C4CCNCC4

InChI

InChI=1S/C24H33N3O2S/c1-16(2)15-29-24(28)21-9-7-20(8-10-21)23-27-26-22(30-23)19-5-3-17(4-6-19)18-11-13-25-14-12-18/h3-6,16,18,20-21,25H,7-15H2,1-2H3