N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-acetamide CAS Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[(4-bromo-2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetamide Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(C)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H20BrN3OS/c1-11-9-17(12(2)8-14(11)20)25-10-18(24)21-13(3)19-22-15-6-4-5-7-16(15)23-19/h4-9,13H,10H2,1-3H3,(H,21,24)(H,22,23)