N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-7-chloranyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-7-chloranyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-7-chloro-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-7-chloro-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-7-chloro-3-methyl-coumarilamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N[C@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H20ClN3O2S/c1-12-13-6-5-7-14(22)19(13)27-18(12)21(26)25-17(10-11-28-2)20-23-15-8-3-4-9-16(15)24-20/h3-9,17H,10-11H2,1-2H3,(H,23,24)(H,25,26)/t17-/m1/s1