(2S)-2-acetamido-N-[2-(4-bromophenyl)sulfanylethyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[2-(4-bromophenyl)sulfanylethyl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[2-(4-bromophenyl)sulfanylethyl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[2-[(4-bromophenyl)thio]ethyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[2-(4-bromophenyl)sulfanylethyl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[2-[(4-bromophenyl)thio]ethyl]-3-methyl-butyramide Formula: C15H21BrN2O2S MolecularWeight: 373.30844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSC1=CC=C(C=C1)Br)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSC1=CC=C(C=C1)Br)NC(=O)C

InChI

InChI=1S/C15H21BrN2O2S/c1-10(2)14(18-11(3)19)15(20)17-8-9-21-13-6-4-12(16)5-7-13/h4-7,10,14H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1