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

Systemtic Name: 3-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-benzyl-3-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C29H27Cl2N5OS MolecularWeight: 564.52858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H27Cl2N5OS/c30-24-10-5-11-25(17-24)35-12-14-36(15-13-35)27-18-26(31)33-29(34-27)38-20-22-8-4-9-23(16-22)28(37)32-19-21-6-2-1-3-7-21/h1-11,16-18H,12-15,19-20H2,(H,32,37)