3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C33H34ClN5OS MolecularWeight: 584.17396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C33H34ClN5OS/c34-30-24-31(39-21-19-38(20-22-39)18-8-14-26-9-3-1-4-10-26)37-33(36-30)41-25-28-13-7-15-29(23-28)32(40)35-17-16-27-11-5-2-6-12-27/h1-15,23-24H,16-22,25H2,(H,35,40)/b14-8+