(2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-N-propyl-propionamide Formula: C15H21BrN2O2S MolecularWeight: 373.30844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O2S/c1-4-7-17-15(20)11(3)18-14(19)9-21-13-6-5-12(16)8-10(13)2/h5-6,8,11H,4,7,9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1