3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-[4-(2-chlorophenyl)piperazino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C31H32ClN5OS MolecularWeight: 558.13668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C4=CC=CC=C4Cl)C5=CC=CC=C5

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C31H32ClN5OS/c1-22(2)33-30(38)25-12-8-9-23(19-25)21-39-31-34-27(24-10-4-3-5-11-24)20-29(35-31)37-17-15-36(16-18-37)28-14-7-6-13-26(28)32/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,33,38)