N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-oxidanyl-4-sulfanyl-naphthalene-2-carboxamide

Systemtic Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-oxidanyl-4-sulfanyl-naphthalene-2-carboxamide Openeye Name: N-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-1-hydroxy-4-sulfanyl-naphthalene-2-carboxamide CAS Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-hydroxy-4-mercapto-2-naphthalenecarboxamide IUPAC Name: N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-1-hydroxy-4-sulfanylnaphthalene-2-carboxamide Traditional Name: N-[3-(2,4-ditert-amylphenoxy)propyl]-1-hydroxy-4-mercapto-2-naphthamide Formula: C30H39NO3S MolecularWeight: 493.70056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)S)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)S)O)C(C)(C)CC

InChI

InChI=1S/C30H39NO3S/c1-7-29(3,4)20-14-15-25(24(18-20)30(5,6)8-2)34-17-11-16-31-28(33)23-19-26(35)21-12-9-10-13-22(21)27(23)32/h9-10,12-15,18-19,32,35H,7-8,11,16-17H2,1-6H3,(H,31,33)