methyl 4-[[1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[2-tert-butoxy-1-(tert-butoxymethyl)-2-oxo-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamothioylamino]benzoate Traditional Name: 4-[[2-tert-butoxy-1-(tert-butoxymethyl)-2-keto-ethyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)26-12-15(17(24)27-20(4,5)6)22-18(28)21-14-10-8-13(9-11-14)16(23)25-7/h8-11,15H,12H2,1-7H3,(H2,21,22,28)