3,3,5-trimethyl-N-(4-phenoxyphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide

Systemtic Name: 3,3,5-trimethyl-N-(4-phenoxyphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide Openeye Name: 3,3,5-trimethyl-N-(4-phenoxyphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide CAS Name: 3,3,5-trimethyl-N-(4-phenoxyphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide IUPAC Name: 3,3,5-trimethyl-N-(4-phenoxyphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide Traditional Name: 3,3,5-trimethyl-N-(4-phenoxyphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H28N2OS/c1-22(2)13-18-14-23(3,15-22)16-25(18)21(27)24-17-9-11-20(12-10-17)26-19-7-5-4-6-8-19/h4-12,18H,13-16H2,1-3H3,(H,24,27)