2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-2-10-22-19(27)24-18(26)13-28-20-23-16-11-15(21)8-9-17(16)25(20)12-14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2,(H2,22,24,26,27)