(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C29H21N3O3S MolecularWeight: 491.56034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C29H21N3O3S/c1-18(28(33)32-23-11-5-7-13-25(23)36-26-14-8-6-12-24(26)32)35-29(34)20-15-16-21-22(17-20)31-27(30-21)19-9-3-2-4-10-19/h2-18H,1H3,(H,30,31)