tert-butyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: tert-butyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[(3,4-dichlorophenyl)methylcarbamothioylamino]propanoate CAS Name: 2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3,4-dichlorophenyl)methylcarbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[(3,4-dichlorobenzyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C19H28Cl2N2O3S MolecularWeight: 435.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C)(C)OCC(C(=O)OC(C)(C)C)NC(=S)NCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C19H28Cl2N2O3S/c1-18(2,3)25-11-15(16(24)26-19(4,5)6)23-17(27)22-10-12-7-8-13(20)14(21)9-12/h7-9,15H,10-11H2,1-6H3,(H2,22,23,27)