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

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

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=CC=C4[N+](=O)[O-])O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=CC=CC=C4[N+](=O)[O-])O)C(C)(C)CC

InChI

InChI=1S/C37H44N2O5S/c1-7-36(3,4)25-19-20-31(29(23-25)37(5,6)8-2)44-22-14-13-21-38-35(41)28-24-33(26-15-9-10-16-27(26)34(28)40)45-32-18-12-11-17-30(32)39(42)43/h9-12,15-20,23-24,40H,7-8,13-14,21-22H2,1-6H3,(H,38,41)