(2S)-2-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[5-(4-bromobenzyl)thiazol-2-yl]-3-methyl-butyramide Formula: C17H20BrN3O2S MolecularWeight: 410.3286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC=C(S1)CC2=CC=C(C=C2)Br)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC=C(S1)CC2=CC=C(C=C2)Br)NC(=O)C

InChI

InChI=1S/C17H20BrN3O2S/c1-10(2)15(20-11(3)22)16(23)21-17-19-9-14(24-17)8-12-4-6-13(18)7-5-12/h4-7,9-10,15H,8H2,1-3H3,(H,20,22)(H,19,21,23)/t15-/m0/s1