2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C25H34ClN5OS MolecularWeight: 488.08836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H34ClN5OS/c1-2-3-4-8-13-27-24(32)20-33-25-28-22(26)19-23(29-25)31-17-15-30(16-18-31)14-9-12-21-10-6-5-7-11-21/h5-7,9-12,19H,2-4,8,13-18,20H2,1H3,(H,27,32)/b12-9+