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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-methoxy-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-methoxy-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-methoxy-3-methyl-coumarilamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-13-15-12-14(27-2)8-9-19(15)28-20(13)22(26)25-18(10-11-29-3)21-23-16-6-4-5-7-17(16)24-21/h4-9,12,18H,10-11H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1