(2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-N-phenyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-N-phenyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-phenyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-N-phenyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-phenylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-(1H-benzimidazol-2-ylthio)acetyl]-N-phenyl-pyrrolidine-2-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3N2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=NC3=CC=CC=C3N2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-18(13-27-20-22-15-9-4-5-10-16(15)23-20)24-12-6-11-17(24)19(26)21-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,21,26)(H,22,23)/t17-/m0/s1