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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O3S/c33-27(32-23-10-4-6-12-25(23)36-26-13-7-5-11-24(26)32)16-17-35-29(34)20-14-15-21-22(18-20)31-28(30-21)19-8-2-1-3-9-19/h1-15,18H,16-17H2,(H,30,31)