(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C29H22N4O3S MolecularWeight: 506.57498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N4O3S/c1-2-24(28(34)33-22-9-3-5-11-25(22)37-26-12-6-4-10-23(26)33)36-29(35)18-13-14-20-21(16-18)32-27(31-20)19-8-7-15-30-17-19/h3-17,24H,2H2,1H3,(H,31,32)