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

Systemtic Name: propan-2-yl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-15(2)28-23(27)20-9-7-19(8-10-20)22-26-25-21(29-22)18-5-3-16(4-6-18)17-11-13-24-14-12-17/h3-6,15,17,19-20,24H,7-14H2,1-2H3