N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methyl-furan-2-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methyl-furan-2-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methyl-furan-2-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-methyl-2-furancarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-methylfuran-2-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-methyl-2-furamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(O1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H19N3O2S/c1-11-7-8-15(22-11)17(21)20-14(9-10-23-2)16-18-12-5-3-4-6-13(12)19-16/h3-8,14H,9-10H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1