(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl) 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-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-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C30H23N3O3S MolecularWeight: 505.58692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C30H23N3O3S/c1-18-11-13-20(14-12-18)28-31-22-16-15-21(17-23(22)32-28)30(35)36-19(2)29(34)33-24-7-3-5-9-26(24)37-27-10-6-4-8-25(27)33/h3-17,19H,1-2H3,(H,31,32)