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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide Formula: C18H25ClN2S MolecularWeight: 336.9225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC3(CC2CC(C3)(C)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC3(CC2CC(C3)(C)C)C)Cl

InChI

InChI=1S/C18H25ClN2S/c1-12-5-6-13(7-15(12)19)20-16(22)21-11-18(4)9-14(21)8-17(2,3)10-18/h5-7,14H,8-11H2,1-4H3,(H,20,22)