N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide Formula: C23H20ClN5O2S MolecularWeight: 465.9552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3CC4=C(O3)C(=CC(=C4)C5=CN=CN=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC[C@H]3CC4=C(O3)C(=CC(=C4)C5=CN=CN=C5)Cl

InChI

InChI=1S/C23H20ClN5O2S/c1-13-2-3-19-20(4-13)29-23(28-19)32-11-21(30)27-10-17-6-15-5-14(7-18(24)22(15)31-17)16-8-25-12-26-9-16/h2-5,7-9,12,17H,6,10-11H2,1H3,(H,27,30)(H,28,29)/t17-/m1/s1