N-[(2S)-butan-2-yl]-4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-[(1S)-1-methylpropyl]benzamide Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

InChI

InChI=1S/C21H27ClN4OS/c1-3-15(2)23-20(27)17-9-7-16(8-10-17)14-28-21-24-18(22)13-19(25-21)26-11-5-4-6-12-26/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,23,27)/t15-/m0/s1