2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(2-oxo-2-phenothiazin-10-yl-ethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[2-oxo-2-(10-phenothiazinyl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(2-oxo-2-phenothiazin-10-ylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(2-keto-2-phenothiazin-10-yl-ethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C22H20N2O3S/c25-20(13-23-21(26)14-7-1-2-8-15(14)22(23)27)24-16-9-3-5-11-18(16)28-19-12-6-4-10-17(19)24/h3-6,9-12,14-15H,1-2,7-8,13H2