methyl 4-[5-[4-(4-phenylcyclohexyl)-2-piperazin-1-yl-phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-[4-(4-phenylcyclohexyl)-2-piperazin-1-yl-phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-(4-phenylcyclohexyl)-2-piperazin-1-yl-phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-phenylcyclohexyl)-2-(1-piperazinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(4-phenylcyclohexyl)-2-piperazin-1-ylphenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(4-phenylcyclohexyl)-2-piperazino-phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C32H34N4O2S MolecularWeight: 538.70296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)C4CCC(CC4)C5=CC=CC=C5)N6CCNCC6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)C4CCC(CC4)C5=CC=CC=C5)N6CCNCC6

InChI

InChI=1S/C32H34N4O2S/c1-38-32(37)26-13-11-25(12-14-26)30-34-35-31(39-30)28-16-15-27(21-29(28)36-19-17-33-18-20-36)24-9-7-23(8-10-24)22-5-3-2-4-6-22/h2-6,11-16,21,23-24,33H,7-10,17-20H2,1H3