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

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-chloro-6-(4-cinnamylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-chloro-6-(4-cinnamylpiperazino)pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C28H32ClN5OS MolecularWeight: 522.10458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClN5OS/c1-21(2)30-27(35)24-12-10-23(11-13-24)20-36-28-31-25(29)19-26(32-28)34-17-15-33(16-18-34)14-6-9-22-7-4-3-5-8-22/h3-13,19,21H,14-18,20H2,1-2H3,(H,30,35)