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

Systemtic Name: 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-(2-nitrophenyl)sulfanyloxy-naphthalene-1-carboxamide Openeye Name: 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-(2-nitrophenyl)sulfanyloxy-naphthalene-1-carboxamide CAS Name: 2-nitrobenzenesulfenic acid [3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-carbamoyl-1-naphthalenyl] ester IUPAC Name: 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-(2-nitrophenyl)sulfanyloxynaphthalene-1-carboxamide Traditional Name: 2-[4-(2,4-ditert-amylphenoxy)butyl]-4-[(2-nitrophenyl)thio]oxy-1-naphthamide Formula: C37H44N2O5S MolecularWeight: 628.82066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCC2=C(C3=CC=CC=C3C(=C2)OSC4=CC=CC=C4[N+](=O)[O-])C(=O)N)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCC2=C(C3=CC=CC=C3C(=C2)OSC4=CC=CC=C4[N+](=O)[O-])C(=O)N)C(C)(C)CC

InChI

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