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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-bromo-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-bromo-3-methyl-coumarilamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20BrN3O2S/c1-12-14-11-13(22)7-8-18(14)27-19(12)21(26)25-17(9-10-28-2)20-23-15-5-3-4-6-16(15)24-20/h3-8,11,17H,9-10H2,1-2H3,(H,23,24)(H,25,26)/t17-/m0/s1