tert-butyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[2-(4-chlorophenyl)ethylcarbamothioylamino]propanoate CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-chlorophenyl)ethylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[2-(4-chlorophenyl)ethylthiocarbamoylamino]propionic acid tert-butyl ester Formula: C20H31ClN2O3S MolecularWeight: 414.98974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C20H31ClN2O3S/c1-19(2,3)25-13-16(17(24)26-20(4,5)6)23-18(27)22-12-11-14-7-9-15(21)10-8-14/h7-10,16H,11-13H2,1-6H3,(H2,22,23,27)