[6-[(3,4-dimethoxyphenyl)methyl]-1-hexylsulfanyl-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [6-[(3,4-dimethoxyphenyl)methyl]-1-hexylsulfanyl-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [6-[(3,4-dimethoxyphenyl)methyl]-1-hexylsulfanyl-6-isopropyl-3-pyridyl]-(2-thienyl)methanone CAS Name: [6-[(3,4-dimethoxyphenyl)methyl]-1-(hexylthio)-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [6-[(3,4-dimethoxyphenyl)methyl]-1-hexylsulfanyl-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [1-(hexylthio)-6-isopropyl-6-veratryl-3-pyridyl]-(2-thienyl)methanone Formula: C28H37NO3S2 MolecularWeight: 499.72828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSN1C=C(C=CC1(CC2=CC(=C(C=C2)OC)OC)C(C)C)C(=O)C3=CC=CS3

Isomeric SMILES

CCCCCCSN1C=C(C=CC1(CC2=CC(=C(C=C2)OC)OC)C(C)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C28H37NO3S2/c1-6-7-8-9-17-34-29-20-23(27(30)26-11-10-16-33-26)14-15-28(29,21(2)3)19-22-12-13-24(31-4)25(18-22)32-5/h10-16,18,20-21H,6-9,17,19H2,1-5H3