5,5-bis(oxidanylidene)-1,4-bis(propylamino)phenothiazin-3-one

Systemtic Name: 5,5-bis(oxidanylidene)-1,4-bis(propylamino)phenothiazin-3-one Openeye Name: 5,5-dioxo-1,4-bis(propylamino)phenothiazin-3-one CAS Name: 5,5-dioxo-1,4-bis(propylamino)-3-phenothiazinone IUPAC Name: 5,5-dioxo-1,4-bis(propylamino)phenothiazin-3-one Traditional Name: 5,5-diketo-1,4-bis(propylamino)phenothiazin-3-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=O)C(=C2C1=NC3=CC=CC=C3S2(=O)=O)NCCC

Isomeric SMILES

CCCNC1=CC(=O)C(=C2C1=NC3=CC=CC=C3S2(=O)=O)NCCC

InChI

InChI=1S/C18H21N3O3S/c1-3-9-19-13-11-14(22)17(20-10-4-2)18-16(13)21-12-7-5-6-8-15(12)25(18,23)24/h5-8,11,19-20H,3-4,9-10H2,1-2H3