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

Systemtic Name: ethyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-2-(4-bromophenyl)ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S/c1-2-25-17(24)15(10-6-8-11(19)9-7-10)26-18-21-13-5-3-4-12(16(20)23)14(13)22-18/h3-9,15H,2H2,1H3,(H2,20,23)(H,21,22)