N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-ethanamide Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(3-chloro-4-fluorophenyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-chloro-4-fluorophenyl)sulfanylacetamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C13H16ClFN2O2S MolecularWeight: 318.794743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H16ClFN2O2S/c1-3-8(2)16-13(19)17-12(18)7-20-9-4-5-11(15)10(14)6-9/h4-6,8H,3,7H2,1-2H3,(H2,16,17,18,19)/t8-/m0/s1