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

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]benzamide Formula: C20H24BrN5O2S MolecularWeight: 478.40586

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H24BrN5O2S/c1-29-14-7-17(24-18(27)15-5-2-3-6-16(15)21)19(28)25-10-12-26(13-11-25)20-22-8-4-9-23-20/h2-6,8-9,17H,7,10-14H2,1H3,(H,24,27)