3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamothioyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamothioyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[methyl(2-pyridylmethyl)carbamothioyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamothioyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[methyl(2-pyridylmethyl)thiocarbamoyl]amino]butyric acid Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=S)N(C)CC1=CC=CC=N1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=S)N(C)CC1=CC=CC=N1

InChI

InChI=1S/C13H19N3O2S/c1-9(2)11(12(17)18)15-13(19)16(3)8-10-6-4-5-7-14-10/h4-7,9,11H,8H2,1-3H3,(H,15,19)(H,17,18)