5-methyl-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioyl]hexanoic acid

Systemtic Name: 5-methyl-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamothioyl]hexanoic acid Openeye Name: 3-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamothioyl]-5-methyl-hexanoic acid CAS Name: 5-methyl-3-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-sulfanylidenemethyl]hexanoic acid IUPAC Name: 5-methyl-3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamothioyl]hexanoic acid Traditional Name: 3-[[1-benzyl-2-keto-2-(methylamino)ethyl]thiocarbamoyl]-5-methyl-hexanoic acid Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)C(=S)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CC(CC(=O)O)C(=S)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C18H26N2O3S/c1-12(2)9-14(11-16(21)22)18(24)20-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)