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

Systemtic Name: 3,3,5-trimethyl-N-(4-morpholin-4-ylsulfonylphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide Openeye Name: 3,3,5-trimethyl-N-(4-morpholinosulfonylphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide CAS Name: 3,3,5-trimethyl-N-[4-(4-morpholinylsulfonyl)phenyl]-7-azabicyclo[3.2.1]octane-7-carbothioamide IUPAC Name: 3,3,5-trimethyl-N-(4-morpholin-4-ylsulfonylphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide Traditional Name: 3,3,5-trimethyl-N-(4-morpholinosulfonylphenyl)-7-azabicyclo[3.2.1]octane-7-carbothioamide Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C)C

InChI

InChI=1S/C21H31N3O3S2/c1-20(2)12-17-13-21(3,14-20)15-24(17)19(28)22-16-4-6-18(7-5-16)29(25,26)23-8-10-27-11-9-23/h4-7,17H,8-15H2,1-3H3,(H,22,28)