N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-acetamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(4-bromo-2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18BrN3OS/c1-11-8-16(12(2)7-13(11)19)24-10-18(23)20-9-17-21-14-5-3-4-6-15(14)22-17/h3-8H,9-10H2,1-2H3,(H,20,23)(H,21,22)