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

Systemtic Name: propan-2-yl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride Openeye Name: isopropyl 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate hydrochloride CAS Name: 4-[5-[4-(4-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[5-[4-(4-piperidyl)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid isopropyl ester hydrochloride Formula: C23H32ClN3O2S MolecularWeight: 450.03708

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S.ClH/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;1H