5,8,8-trimethyl-3-(2-oxidanyl-3-phenothiazin-10-yl-propyl)-3-azabicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 5,8,8-trimethyl-3-(2-oxidanyl-3-phenothiazin-10-yl-propyl)-3-azabicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-(2-hydroxy-3-phenothiazin-10-yl-propyl)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[2-hydroxy-3-(10-phenothiazinyl)propyl]-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-(2-hydroxy-3-phenothiazin-10-ylpropyl)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-(2-hydroxy-3-phenothiazin-10-yl-propyl)-5,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-quinone Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)N(C2=O)CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O)C)C

Isomeric SMILES

CC1(C2CCC1(C(=O)N(C2=O)CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O)C)C

InChI

InChI=1S/C25H28N2O3S/c1-24(2)17-12-13-25(24,3)23(30)27(22(17)29)15-16(28)14-26-18-8-4-6-10-20(18)31-21-11-7-5-9-19(21)26/h4-11,16-17,28H,12-15H2,1-3H3