4-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]propanoylamino]benzamide Formula: C24H21ClN4O2S MolecularWeight: 464.96714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C24H21ClN4O2S/c1-15(23(31)27-19-10-7-17(8-11-19)22(26)30)32-24-28-20-13-18(25)9-12-21(20)29(24)14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H2,26,30)(H,27,31)