N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-5-[(methylthio)methyl]-2-furancarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-[(methylthio)methyl]-2-furamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CSCC1=CC=C(O1)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21N3O2S/c1-28-14-16-11-12-20(27-16)22(26)25-19(13-15-7-3-2-4-8-15)21-23-17-9-5-6-10-18(17)24-21/h2-12,19H,13-14H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1