(2R,3S,6R)-N-(2-ethyl-6-methyl-phenyl)-3,6-dipentyl-3,6-dihydro-2H-thiopyran-2-carboxamide

Systemtic Name: (2R,3S,6R)-N-(2-ethyl-6-methyl-phenyl)-3,6-dipentyl-3,6-dihydro-2H-thiopyran-2-carboxamide Openeye Name: (2R,3S,6R)-N-(2-ethyl-6-methyl-phenyl)-3,6-dipentyl-3,6-dihydro-2H-thiopyran-2-carboxamide CAS Name: (2R,3S,6R)-N-(2-ethyl-6-methylphenyl)-3,6-dipentyl-3,6-dihydro-2H-thiopyran-2-carboxamide IUPAC Name: (2R,3S,6R)-N-(2-ethyl-6-methylphenyl)-3,6-dipentyl-3,6-dihydro-2H-thiopyran-2-carboxamide Traditional Name: (2R,3S,6R)-3,6-diamyl-N-(2-ethyl-6-methyl-phenyl)-3,6-dihydro-2H-thiopyran-2-carboxamide Formula: C25H39NOS MolecularWeight: 401.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=CC(SC1C(=O)NC2=C(C=CC=C2CC)C)CCCCC

Isomeric SMILES

CCCCC[C@H]1C=C[C@H](S[C@H]1C(=O)NC2=C(C=CC=C2CC)C)CCCCC

InChI

InChI=1S/C25H39NOS/c1-5-8-10-14-21-17-18-22(16-11-9-6-2)28-24(21)25(27)26-23-19(4)13-12-15-20(23)7-3/h12-13,15,17-18,21-22,24H,5-11,14,16H2,1-4H3,(H,26,27)/t21-,22+,24+/m0/s1