2-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]-1,3-thiazole dihydrochloride

Systemtic Name: 2-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]-1,3-thiazole dihydrochloride Openeye Name: 2-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]thiazole dihydrochloride CAS Name: 2-[3-(4-tert-butylcyclohexyl)-4-(4-butyl-1-piperazinyl)phenyl]thiazole dihydrochloride IUPAC Name: 2-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]-1,3-thiazole dihydrochloride Traditional Name: 2-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazino)phenyl]thiazole dihydrochloride Formula: C27H43Cl2N3S MolecularWeight: 512.62142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C(C=C2)C3=NC=CS3)C4CCC(CC4)C(C)(C)C.Cl.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C(C=C2)C3=NC=CS3)C4CCC(CC4)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C27H41N3S.2ClH/c1-5-6-14-29-15-17-30(18-16-29)25-12-9-22(26-28-13-19-31-26)20-24(25)21-7-10-23(11-8-21)27(2,3)4;;/h9,12-13,19-21,23H,5-8,10-11,14-18H2,1-4H3;2*1H