2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-[3-(diethynylamino)propyl]thiomorpholin-3-one

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-[3-(diethynylamino)propyl]thiomorpholin-3-one Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-[3-(diethynylamino)propyl]thiomorpholin-3-one CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[3-(diethynylamino)propyl]-3-thiomorpholinone IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[3-(diethynylamino)propyl]thiomorpholin-3-one Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-[3-(diethynylamino)propyl]thiomorpholin-3-one Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)N(CCS2)CCCN(C#C)C#C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)N(CCS2)CCCN(C#C)C#C

InChI

InChI=1S/C26H36N2O2S/c1-9-27(10-2)12-11-13-28-14-15-31-22(24(28)30)18-19-16-20(25(3,4)5)23(29)21(17-19)26(6,7)8/h1-2,16-17,22,29H,11-15,18H2,3-8H3