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

Systemtic Name: 4-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Openeye Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide CAS Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(1,2-diphenylethyl)benzamide IUPAC Name: 4-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Traditional Name: 4-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-(1,2-diphenylethyl)benzamide Formula: C36H33Cl2N5OS MolecularWeight: 654.65112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C6=CC=CC=C6)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C6=CC=CC=C6)Cl

InChI

InChI=1S/C36H33Cl2N5OS/c37-30-12-7-13-31(23-30)42-18-20-43(21-19-42)34-24-33(38)40-36(41-34)45-25-27-14-16-29(17-15-27)35(44)39-32(28-10-5-2-6-11-28)22-26-8-3-1-4-9-26/h1-17,23-24,32H,18-22,25H2,(H,39,44)