(2S)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2S)-2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: (2S)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: (2S)-2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2S)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: (2S)-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C29H24ClN3O2S MolecularWeight: 514.03776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C29H24ClN3O2S/c1-20(28(34)31-23-13-15-25(16-14-23)35-24-10-6-3-7-11-24)36-29-32-26-18-22(30)12-17-27(26)33(29)19-21-8-4-2-5-9-21/h2-18,20H,19H2,1H3,(H,31,34)/t20-/m0/s1