[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate CAS Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate Traditional Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C26H33N3OS2 MolecularWeight: 467.68972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC(=S)N3CC4CCC(C3)CC4

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC(=S)N3CC4CCC(C3)CC4

InChI

InChI=1S/C26H33N3OS2/c1-19(2)29(24-14-12-23(13-15-24)27-22-6-4-3-5-7-22)25(30)18-32-26(31)28-16-20-8-9-21(17-28)11-10-20/h3-7,12-15,19-21,27H,8-11,16-18H2,1-2H3