N-cyano-N-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonyl]hexanamide

Systemtic Name: N-cyano-N-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonyl]hexanamide Openeye Name: N-cyano-N-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonyl]hexanamide CAS Name: N-cyano-N-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonyl]hexanamide IUPAC Name: N-cyano-N-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonyl]hexanamide Traditional Name: N-cyano-N-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonyl]hexanamide Formula: C32H44N2O3S MolecularWeight: 536.76836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C#N

Isomeric SMILES

CCCCCC(=O)N(CCCCCCCCCC1C2=C(C=C(C=C2)O)SCC1(C)C3=CC=C(C=C3)O)C#N

InChI

InChI=1S/C32H44N2O3S/c1-3-4-10-14-31(37)34(24-33)21-12-9-7-5-6-8-11-13-29-28-20-19-27(36)22-30(28)38-23-32(29,2)25-15-17-26(35)18-16-25/h15-20,22,29,35-36H,3-14,21,23H2,1-2H3