tert-butyl 2-[(3-chlorophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(3-chlorophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(3-chlorophenyl)carbamothioylamino]propanoate CAS Name: 2-[[(3-chloroanilino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-chlorophenyl)carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(3-chlorophenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C18H27ClN2O3S MolecularWeight: 386.93658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C18H27ClN2O3S/c1-17(2,3)23-11-14(15(22)24-18(4,5)6)21-16(25)20-13-9-7-8-12(19)10-13/h7-10,14H,11H2,1-6H3,(H2,20,21,25)