2,6-ditert-butyl-4-[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]phenol Openeye Name: 2,6-ditert-butyl-4-[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]thiazol-4-yl]phenol CAS Name: 2,6-ditert-butyl-4-[2-[1-[(5-nitro-3-thiophenyl)methyl]-4-piperidinyl]-4-thiazolyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]phenol Traditional Name: 2,6-ditert-butyl-4-[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]thiazol-4-yl]phenol Formula: C27H35N3O3S2 MolecularWeight: 513.7151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CCN(CC3)CC4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CCN(CC3)CC4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H35N3O3S2/c1-26(2,3)20-12-19(13-21(24(20)31)27(4,5)6)22-16-35-25(28-22)18-7-9-29(10-8-18)14-17-11-23(30(32)33)34-15-17/h11-13,15-16,18,31H,7-10,14H2,1-6H3