2-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)carbonyl]-3H-isoindol-1-one

Systemtic Name: 2-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)carbonyl]-3H-isoindol-1-one Openeye Name: 2-(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazine-4-carbonyl)isoindolin-1-one CAS Name: 2-[(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazin-4-yl)-oxomethyl]-3H-isoindol-1-one IUPAC Name: 2-(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazine-4-carbonyl)-3H-isoindol-1-one Traditional Name: 2-(10-hexyl-3,7-dimethoxy-9,9a-dihydrophenothiazine-4-carbonyl)isoindolin-1-one Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2CC=C(C=C2SC3=C1C=CC(=C3C(=O)N4CC5=CC=CC=C5C4=O)OC)OC

Isomeric SMILES

CCCCCCN1C2CC=C(C=C2SC3=C1C=CC(=C3C(=O)N4CC5=CC=CC=C5C4=O)OC)OC

InChI

InChI=1S/C29H32N2O4S/c1-4-5-6-9-16-30-22-13-12-20(34-2)17-25(22)36-27-23(30)14-15-24(35-3)26(27)29(33)31-18-19-10-7-8-11-21(19)28(31)32/h7-8,10-12,14-15,17,22H,4-6,9,13,16,18H2,1-3H3