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

Systemtic Name: ethyl 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride Openeye Name: ethyl 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate hydrochloride CAS Name: 4-[5-[4-(1-piperazinyl)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[5-(4-piperazin-1-ylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[5-(4-piperazinophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid ethyl ester hydrochloride Formula: C21H29ClN4O2S MolecularWeight: 436.99856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)N4CCNCC4.Cl

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)N4CCNCC4.Cl

InChI

InChI=1S/C21H28N4O2S.ClH/c1-2-27-21(26)17-5-3-15(4-6-17)19-23-24-20(28-19)16-7-9-18(10-8-16)25-13-11-22-12-14-25;/h7-10,15,17,22H,2-6,11-14H2,1H3;1H