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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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