(2R,3S)-2-acetamido-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide

Systemtic Name: (2R,3S)-2-acetamido-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide Openeye Name: (2R,3S)-2-acetamido-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: (2R,3S)-2-acetamido-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide IUPAC Name: (2R,3S)-2-acetamido-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: (2R,3S)-2-acetamido-N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Br)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O2S/c1-4-9(2)13(18-10(3)22)14(23)19-16-21-20-15(24-16)11-6-5-7-12(17)8-11/h5-9,13H,4H2,1-3H3,(H,18,22)(H,19,21,23)/t9-,13+/m0/s1