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

Systemtic Name: 3-[[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: 3-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: 3-[[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-(1-phenylethyl)benzamide Formula: C30H29Cl2N5OS MolecularWeight: 578.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H29Cl2N5OS/c1-21(23-8-3-2-4-9-23)33-29(38)24-10-5-7-22(17-24)20-39-30-34-27(32)19-28(35-30)37-15-13-36(14-16-37)26-12-6-11-25(31)18-26/h2-12,17-19,21H,13-16,20H2,1H3,(H,33,38)