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

Systemtic Name: tert-butyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[[4-(diethylamino)phenyl]carbamothioylamino]propanoate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 3-tert-butoxy-2-[[4-(diethylamino)phenyl]thiocarbamoylamino]propionic acid tert-butyl ester Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O3S/c1-9-25(10-2)17-13-11-16(12-14-17)23-20(29)24-18(15-27-21(3,4)5)19(26)28-22(6,7)8/h11-14,18H,9-10,15H2,1-8H3,(H2,23,24,29)