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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate Openeye Name: [2-(4-anilinoanilino)-2-oxo-ethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate CAS Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid [2-(4-anilinoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilinoanilino)-2-oxoethyl] 3-azabicyclo[3.2.2]nonane-3-carbodithioate Traditional Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid [2-(4-anilinoanilino)-2-keto-ethyl] ester Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1CN(C2)C(=S)SCC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CC2CCC1CN(C2)C(=S)SCC(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS2/c27-22(16-29-23(28)26-14-17-6-7-18(15-26)9-8-17)25-21-12-10-20(11-13-21)24-19-4-2-1-3-5-19/h1-5,10-13,17-18,24H,6-9,14-16H2,(H,25,27)