2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(4-bromophenyl)butanamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(4-bromophenyl)butyramide Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16BrN3OS/c1-2-15(16(22)19-12-9-7-11(18)8-10-12)23-17-20-13-5-3-4-6-14(13)21-17/h3-10,15H,2H2,1H3,(H,19,22)(H,20,21)