(2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-azanyl-2-oxidanylidene-ethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(2-amino-2-oxo-ethyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-[[3-(trifluoromethyl)phenyl]thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(2-amino-2-oxoethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(2-amino-2-keto-ethyl)-3-[[3-(trifluoromethyl)phenyl]thio]propionamide Formula: C14H16F3N3O3S MolecularWeight: 363.35535

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCC(=O)N

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCC(=O)N

InChI

InChI=1S/C14H16F3N3O3S/c1-8(21)20-11(13(23)19-6-12(18)22)7-24-10-4-2-3-9(5-10)14(15,16)17/h2-5,11H,6-7H2,1H3,(H2,18,22)(H,19,23)(H,20,21)/t11-/m1/s1