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

Systemtic Name: 3-[[4-chloranyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-chloro-6-(4-cinnamylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[[4-chloro-6-(4-cinnamylpiperazino)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(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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