2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C28H32ClN5O2S MolecularWeight: 538.10398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H32ClN5O2S/c1-2-26(35)33-17-15-32(16-18-33)25-19-24(29)30-28(31-25)37-21-27(36)34(20-23-11-7-4-8-12-23)14-13-22-9-5-3-6-10-22/h3-12,19H,2,13-18,20-21H2,1H3