[1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-bromophenyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(4-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(4-bromophenyl)carbamoyl]propyl ester Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C24H20BrN3O3/c1-2-21(23(29)26-18-11-9-17(25)10-12-18)31-24(30)16-8-13-19-20(14-16)28-22(27-19)15-6-4-3-5-7-15/h3-14,21H,2H2,1H3,(H,26,29)(H,27,28)