N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-benzamide

Systemtic Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-benzamide Openeye Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-3-bromo-benzamide CAS Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]-3-bromobenzamide IUPAC Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]-3-bromobenzamide Traditional Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-keto-ethyl]-3-bromo-benzamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-28-10-9-17(19-24-15-7-2-3-8-16(15)25-19)23-18(26)12-22-20(27)13-5-4-6-14(21)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/t17-/m0/s1