(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)C5=NC(=C(N5)C)C

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)C5=NC(=C(N5)C)C

InChI

InChI=1S/C28H25N3O3S/c1-4-23(34-28(33)20-15-13-19(14-16-20)26-29-17(2)18(3)30-26)27(32)31-21-9-5-7-11-24(21)35-25-12-8-6-10-22(25)31/h5-16,23H,4H2,1-3H3,(H,29,30)