4-[2-cyclohexylethyl(2-phenylpropyl)amino]-2-(methylcarbamothioyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-cyclohexylethyl(2-phenylpropyl)amino]-2-(methylcarbamothioyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-cyclohexylethyl(2-phenylpropyl)amino]-2-(methylcarbamothioyl)-4-oxo-butanoic acid CAS Name: 4-[2-cyclohexylethyl(2-phenylpropyl)amino]-2-[methylamino(sulfanylidene)methyl]-4-oxobutanoic acid IUPAC Name: 4-[2-cyclohexylethyl(2-phenylpropyl)amino]-2-(methylcarbamothioyl)-4-oxobutanoic acid Traditional Name: 4-[2-cyclohexylethyl(2-phenylpropyl)amino]-4-keto-2-(methylthiocarbamoyl)butyric acid Formula: C23H34N2O3S MolecularWeight: 418.59266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1CCCCC1)C(=O)CC(C(=S)NC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CN(CCC1CCCCC1)C(=O)CC(C(=S)NC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C23H34N2O3S/c1-17(19-11-7-4-8-12-19)16-25(14-13-18-9-5-3-6-10-18)21(26)15-20(23(27)28)22(29)24-2/h4,7-8,11-12,17-18,20H,3,5-6,9-10,13-16H2,1-2H3,(H,24,29)(H,27,28)