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

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-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-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C31H25N3O3S MolecularWeight: 519.6135

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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=CC=C(C=C6)C

Isomeric SMILES

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

InChI

InChI=1S/C31H25N3O3S/c1-3-26(30(35)34-24-8-4-6-10-27(24)38-28-11-7-5-9-25(28)34)37-31(36)21-16-17-22-23(18-21)33-29(32-22)20-14-12-19(2)13-15-20/h4-18,26H,3H2,1-2H3,(H,32,33)