3,5-bis(oxidanyl)-1-[5-(thiophen-2-ylmethylsulfanyl)pentyl]naphthalene-2-carboxamide

Systemtic Name: 3,5-bis(oxidanyl)-1-[5-(thiophen-2-ylmethylsulfanyl)pentyl]naphthalene-2-carboxamide Openeye Name: 3,5-dihydroxy-1-[5-(2-thienylmethylsulfanyl)pentyl]naphthalene-2-carboxamide CAS Name: 3,5-dihydroxy-1-[5-(thiophen-2-ylmethylthio)pentyl]-2-naphthalenecarboxamide IUPAC Name: 3,5-dihydroxy-1-[5-(thiophen-2-ylmethylsulfanyl)pentyl]naphthalene-2-carboxamide Traditional Name: 3,5-dihydroxy-1-[5-(2-thenylthio)pentyl]-2-naphthamide Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C(=C1)O)O)C(=O)N)CCCCCSCC3=CC=CS3

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C(=C1)O)O)C(=O)N)CCCCCSCC3=CC=CS3

InChI

InChI=1S/C21H23NO3S2/c22-21(25)20-16(15-8-4-9-18(23)17(15)12-19(20)24)7-2-1-3-10-26-13-14-6-5-11-27-14/h4-6,8-9,11-12,23-24H,1-3,7,10,13H2,(H2,22,25)