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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-coumarilamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N3O2S/c1-13-14-7-3-6-10-18(14)26-19(13)21(25)24-17(11-12-27-2)20-22-15-8-4-5-9-16(15)23-20/h3-10,17H,11-12H2,1-2H3,(H,22,23)(H,24,25)