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

Systemtic Name: 5-methyl-3-[[1-(methylamino)-3-phenyl-1-sulfanylidene-propan-2-yl]carbamoyl]hexanoic acid Openeye Name: 3-[[1-benzyl-2-(methylamino)-2-thioxo-ethyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: 5-methyl-3-[[[1-(methylamino)-3-phenyl-1-sulfanylidenepropan-2-yl]amino]-oxomethyl]hexanoic acid IUPAC Name: 5-methyl-3-[[1-(methylamino)-3-phenyl-1-sulfanylidenepropan-2-yl]carbamoyl]hexanoic acid Traditional Name: 3-[[1-benzyl-2-(methylamino)-2-thioxo-ethyl]carbamoyl]-5-methyl-hexanoic acid Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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