(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromanylthiophen-2-yl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-bromanylthiophen-2-yl)-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-N-benzyl-3-(4-bromo-2-thienyl)prop-2-enamide CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-bromo-2-thiophenyl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-N-benzyl-3-(4-bromothiophen-2-yl)prop-2-enamide Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-N-benzyl-3-(4-bromo-2-thienyl)acrylamide Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=CS2)Br)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=CS2)Br)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H16BrN3OS/c22-15-10-16(27-13-15)11-17(20-24-18-8-4-5-9-19(18)25-20)21(26)23-12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,23,26)(H,24,25)/b17-11+