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

Systemtic Name: N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-(2-nitrophenyl)sulfanyl-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[1-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(2-nitrophenyl)sulfanyl-naphthalene-2-carboxamide CAS Name: N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthalenecarboxamide IUPAC Name: N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(2-nitrophenyl)sulfanylnaphthalene-2-carboxamide Traditional Name: N-[1-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthamide Formula: C37H44N2O5S MolecularWeight: 628.82066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=C(C2=CC=CC=C2C(=C1)SC3=CC=CC=C3[N+](=O)[O-])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[N+](=O)[O-])O)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C37H44N2O5S/c1-8-15-33(44-30-21-20-24(36(4,5)9-2)22-28(30)37(6,7)10-3)38-35(41)27-23-32(25-16-11-12-17-26(25)34(27)40)45-31-19-14-13-18-29(31)39(42)43/h11-14,16-23,33,40H,8-10,15H2,1-7H3,(H,38,41)