propyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-(4-bromophenyl)ethanoate

Systemtic Name: propyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-(4-bromophenyl)ethanoate Openeye Name: propyl 2-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]acetic acid propyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C1=CC=C(C=C1)Br)SC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

CCCOC(=O)C(C1=CC=C(C=C1)Br)SC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C19H18BrN3O3S/c1-2-10-26-18(25)16(11-6-8-12(20)9-7-11)27-19-22-14-5-3-4-13(17(21)24)15(14)23-19/h3-9,16H,2,10H2,1H3,(H2,21,24)(H,22,23)