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

Systemtic Name: N-butyl-3-[[4-chloranyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-butyl-3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-butyl-3-[[[4-chloro-6-[4-(2-fluorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-butyl-3-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-butyl-3-[[[4-chloro-6-[4-(2-fluorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C26H29ClFN5OS MolecularWeight: 514.057763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C26H29ClFN5OS/c1-2-3-11-29-25(34)20-8-6-7-19(16-20)18-35-26-30-23(27)17-24(31-26)33-14-12-32(13-15-33)22-10-5-4-9-21(22)28/h4-10,16-17H,2-3,11-15,18H2,1H3,(H,29,34)