2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C22H29Cl2N5OS MolecularWeight: 482.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H29Cl2N5OS/c1-2-3-4-5-9-25-21(30)16-31-22-26-19(24)15-20(27-22)29-12-10-28(11-13-29)18-8-6-7-17(23)14-18/h6-8,14-15H,2-5,9-13,16H2,1H3,(H,25,30)