N-(cyclohexylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H31N5O2S/c30-22(27-17-19-7-2-1-3-8-19)18-32-21-10-5-4-9-20(21)23(31)28-13-15-29(16-14-28)24-25-11-6-12-26-24/h4-6,9-12,19H,1-3,7-8,13-18H2,(H,27,30)