4-butanoyl-1,2-dimethyl-phenothiazin-3-one

Systemtic Name: 4-butanoyl-1,2-dimethyl-phenothiazin-3-one Openeye Name: 4-butanoyl-1,2-dimethyl-phenothiazin-3-one CAS Name: 1,2-dimethyl-4-(1-oxobutyl)-3-phenothiazinone IUPAC Name: 4-butanoyl-1,2-dimethylphenothiazin-3-one Traditional Name: 4-butyryl-1,2-dimethyl-phenothiazin-3-one Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C2C(=NC3=CC=CC=C3S2)C(=C(C1=O)C)C

Isomeric SMILES

CCCC(=O)C1=C2C(=NC3=CC=CC=C3S2)C(=C(C1=O)C)C

InChI

InChI=1S/C18H17NO2S/c1-4-7-13(20)15-17(21)11(3)10(2)16-18(15)22-14-9-6-5-8-12(14)19-16/h5-6,8-9H,4,7H2,1-3H3