2,6-ditert-butyl-4-(2-piperazin-2-yl-1,3-thiazol-4-yl)phenol

Systemtic Name: 2,6-ditert-butyl-4-(2-piperazin-2-yl-1,3-thiazol-4-yl)phenol Openeye Name: 2,6-ditert-butyl-4-(2-piperazin-2-ylthiazol-4-yl)phenol CAS Name: 2,6-ditert-butyl-4-[2-(2-piperazinyl)-4-thiazolyl]phenol IUPAC Name: 2,6-ditert-butyl-4-(2-piperazin-2-yl-1,3-thiazol-4-yl)phenol Traditional Name: 2,6-ditert-butyl-4-(2-piperazin-2-ylthiazol-4-yl)phenol Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CNCCN3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CNCCN3

InChI

InChI=1S/C21H31N3OS/c1-20(2,3)14-9-13(10-15(18(14)25)21(4,5)6)17-12-26-19(24-17)16-11-22-7-8-23-16/h9-10,12,16,22-23,25H,7-8,11H2,1-6H3