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

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 4-(1H-imidazol-2-yl)benzoate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(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-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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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=CN5

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)C5=NC=CN5

InChI

InChI=1S/C26H21N3O3S/c1-2-21(32-26(31)18-13-11-17(12-14-18)24-27-15-16-28-24)25(30)29-19-7-3-5-9-22(19)33-23-10-6-4-8-20(23)29/h3-16,21H,2H2,1H3,(H,27,28)