N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]-2-phenoxy-acetamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-2-phenoxyacetamide Traditional Name: N-[3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]-2-phenoxy-acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3S/c1-30-15-8-18(24-19(27)16-29-17-6-3-2-4-7-17)20(28)25-11-13-26(14-12-25)21-22-9-5-10-23-21/h2-7,9-10,18H,8,11-16H2,1H3,(H,24,27)