(2S)-2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-N-propyl-propionamide Formula: C16H23BrN2O2S MolecularWeight: 387.33502

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=C(C=C(C(=C1)C)Br)C

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=C(C=C(C(=C1)C)Br)C

InChI

InChI=1S/C16H23BrN2O2S/c1-5-6-18-16(21)12(4)19-15(20)9-22-14-8-10(2)13(17)7-11(14)3/h7-8,12H,5-6,9H2,1-4H3,(H,18,21)(H,19,20)/t12-/m0/s1