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

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-pyrimidin-2-ylhydrazinyl)butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[(pyrimidin-2-ylamino)carbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-(2-pyrimidinylhydrazo)butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-(2-pyrimidin-2-ylhydrazinyl)butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[(2-pyrimidylamino)carbamoyl]propyl]benzamide Formula: C16H18BrN5O2S MolecularWeight: 424.31542

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC1=NC=CC=N1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)NNC1=NC=CC=N1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H18BrN5O2S/c1-25-10-7-13(15(24)21-22-16-18-8-4-9-19-16)20-14(23)11-5-2-3-6-12(11)17/h2-6,8-9,13H,7,10H2,1H3,(H,20,23)(H,21,24)(H,18,19,22)