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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-oxidanyl-4-sulfanyl-naphthalene-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-sulfanyl-naphthalene-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-mercapto-2-naphthalenecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-sulfanylnaphthalene-2-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-4-mercapto-2-naphthamide Formula: C31H41NO3S MolecularWeight: 507.72714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO3S/c1-7-30(3,4)21-15-16-26(25(19-21)31(5,6)8-2)35-18-12-11-17-32-29(34)24-20-27(36)22-13-9-10-14-23(22)28(24)33/h9-10,13-16,19-20,33,36H,7-8,11-12,17-18H2,1-6H3,(H,32,34)