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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2S/c1-28-15-8-17(23-18(26)16-6-3-2-4-7-16)19(27)24-11-13-25(14-12-24)20-21-9-5-10-22-20/h2-7,9-10,17H,8,11-15H2,1H3,(H,23,26)