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

Systemtic Name: 4-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 4-[[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 4-[[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C31H38ClN5OS MolecularWeight: 564.18432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C31H38ClN5OS/c1-2-3-4-8-17-33-30(38)27-15-13-26(14-16-27)24-39-31-34-28(32)23-29(35-31)37-21-19-36(20-22-37)18-9-12-25-10-6-5-7-11-25/h5-7,9-16,23H,2-4,8,17-22,24H2,1H3,(H,33,38)/b12-9+