2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[4-(4-benzoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-(4-benzoyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[4-(4-benzoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzhydryl-2-[[4-(4-benzoyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]acetamide Formula: C31H30ClN5O2S MolecularWeight: 572.1202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H30ClN5O2S/c1-22-20-36(17-18-37(22)30(39)25-15-9-4-10-16-25)27-19-26(32)33-31(34-27)40-21-28(38)35-29(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,19,22,29H,17-18,20-21H2,1H3,(H,35,38)