[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate

Systemtic Name: [4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate Openeye Name: [4-methyl-5-(phenylcarbamoyl)thiazol-2-yl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate CAS Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid [5-[anilino(oxo)methyl]-4-methyl-2-thiazolyl] ester IUPAC Name: [4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate Traditional Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid [4-methyl-5-(phenylcarbamoyl)thiazol-2-yl] ester Formula: C20H23N3OS3 MolecularWeight: 417.61112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC(=S)N2CC3CCC(C2)CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)SC(=S)N2CC3CCC(C2)CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H23N3OS3/c1-13-17(18(24)22-16-5-3-2-4-6-16)26-19(21-13)27-20(25)23-11-14-7-8-15(12-23)10-9-14/h2-6,14-15H,7-12H2,1H3,(H,22,24)