methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate

Systemtic Name: methyl 2-[(4-aminocarbonyl-1H-benzimidazol-2-yl)sulfanyl]-3-(4-bromophenyl)propanoate Openeye Name: methyl 3-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]propanoate CAS Name: 3-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)sulfanyl]propanoate Traditional Name: 3-(4-bromophenyl)-2-[(4-carbamoyl-1H-benzimidazol-2-yl)thio]propionic acid methyl ester Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)Br)SC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)Br)SC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C18H16BrN3O3S/c1-25-17(24)14(9-10-5-7-11(19)8-6-10)26-18-21-13-4-2-3-12(16(20)23)15(13)22-18/h2-8,14H,9H2,1H3,(H2,20,23)(H,21,22)