N-[[1-[[2,3-bis(chloranyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[[1-[[2,3-bis(chloranyl)phenyl]methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[[1-[(2,3-dichlorophenyl)methyl]-3-pyrrolidinyl]methyl]-2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[[1-(2,3-dichlorobenzyl)pyrrolidin-3-yl]methyl]-2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide Formula: C25H26Cl2N4O2S MolecularWeight: 517.47054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCN(C3)CC4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCN(C3)CC4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C25H26Cl2N4O2S/c1-33-21-7-5-18(6-8-21)20-12-29-25(30-13-20)34-16-23(32)28-11-17-9-10-31(14-17)15-19-3-2-4-22(26)24(19)27/h2-8,12-13,17H,9-11,14-16H2,1H3,(H,28,32)