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

Systemtic Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[[1-[(3,4-dichlorophenyl)methyl]-3-pyrrolidinyl]methyl]-2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[[1-(3,4-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=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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