2-[3-(1,2-dimethylphenothiazin-10-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1,2-dimethylphenothiazin-10-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1,2-dimethylphenothiazin-10-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(1,2-dimethyl-10-phenothiazinyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1,2-dimethylphenothiazin-10-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1,2-dimethylphenothiazin-10-yl)propyl]isoindoline-1,3-quinone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC3=CC=CC=C3N2CCCN4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC3=CC=CC=C3N2CCCN4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C25H22N2O2S/c1-16-12-13-22-23(17(16)2)26(20-10-5-6-11-21(20)30-22)14-7-15-27-24(28)18-8-3-4-9-19(18)25(27)29/h3-6,8-13H,7,14-15H2,1-2H3