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

Systemtic Name: methyl 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate CAS Name: 4-[5-[4-(1-piperazinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Traditional Name: 4-[5-(4-piperazinophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid methyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C20H26N4O2S/c1-26-20(25)16-4-2-14(3-5-16)18-22-23-19(27-18)15-6-8-17(9-7-15)24-12-10-21-11-13-24/h6-9,14,16,21H,2-5,10-13H2,1H3