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

Systemtic Name: 2-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(3-oxo-3-phenothiazin-10-yl-propyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[3-oxo-3-(10-phenothiazinyl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(3-oxo-3-phenothiazin-10-ylpropyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(3-keto-3-phenothiazin-10-yl-propyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c26-21(13-14-24-22(27)15-7-1-2-8-16(15)23(24)28)25-17-9-3-5-11-19(17)29-20-12-6-4-10-18(20)25/h3-6,9-12,15-16H,1-2,7-8,13-14H2