1-(azepan-1-yl)-2-[5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5,5-bis(oxidanylidene)phenothiazin-10-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-(5,5-dioxophenothiazin-10-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(5,5-dioxo-10-phenothiazinyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5,5-dioxophenothiazin-10-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(5,5-diketophenothiazin-10-yl)ethanone Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42

InChI

InChI=1S/C20H22N2O3S/c23-20(21-13-7-1-2-8-14-21)15-22-16-9-3-5-11-18(16)26(24,25)19-12-6-4-10-17(19)22/h3-6,9-12H,1-2,7-8,13-15H2