N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-bromophenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-bromophenyl)-4-oxidanylidene-butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-bromophenyl)-4-oxo-butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-bromophenyl)-4-oxobutanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(4-bromophenyl)-4-oxobutanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-bromophenyl)-4-keto-butyramide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-28-13-12-18(21-24-16-4-2-3-5-17(16)25-21)23-20(27)11-10-19(26)14-6-8-15(22)9-7-14/h2-9,18H,10-13H2,1H3,(H,23,27)(H,24,25)