tert-butyl 2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]propanoate CAS Name: 2-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-butyl-2-methylphenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(4-butyl-2-methyl-phenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C23H38N2O3S MolecularWeight: 422.62442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NC(COC(C)(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H38N2O3S/c1-9-10-11-17-12-13-18(16(2)14-17)24-21(29)25-19(15-27-22(3,4)5)20(26)28-23(6,7)8/h12-14,19H,9-11,15H2,1-8H3,(H2,24,25,29)