N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-oxidanyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-4-[(1-phenyltetrazol-5-yl)thio]-2-naphthamide Formula: C38H45N5O3S MolecularWeight: 651.8606

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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=NN=NN4C5=CC=CC=C5)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=NN=NN4C5=CC=CC=C5)O)C(C)(C)CC

InChI

InChI=1S/C38H45N5O3S/c1-7-37(3,4)26-20-21-32(31(24-26)38(5,6)8-2)46-23-15-14-22-39-35(45)30-25-33(28-18-12-13-19-29(28)34(30)44)47-36-40-41-42-43(36)27-16-10-9-11-17-27/h9-13,16-21,24-25,44H,7-8,14-15,22-23H2,1-6H3,(H,39,45)