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

Systemtic Name: N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-oxidanyl-4-phenylsulfanyl-naphthalene-2-carboxamide Openeye Name: N-[1-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-phenylsulfanyl-naphthalene-2-carboxamide CAS Name: N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(phenylthio)-2-naphthalenecarboxamide IUPAC Name: N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-phenylsulfanylnaphthalene-2-carboxamide Traditional Name: N-[1-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-4-(phenylthio)-2-naphthamide Formula: C37H45NO3S MolecularWeight: 583.8231

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=C(C2=CC=CC=C2C(=C1)SC3=CC=CC=C3)O)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCCC(NC(=O)C1=C(C2=CC=CC=C2C(=C1)SC3=CC=CC=C3)O)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C37H45NO3S/c1-8-16-33(41-31-22-21-25(36(4,5)9-2)23-30(31)37(6,7)10-3)38-35(40)29-24-32(42-26-17-12-11-13-18-26)27-19-14-15-20-28(27)34(29)39/h11-15,17-24,33,39H,8-10,16H2,1-7H3,(H,38,40)