methyl 4-(1,1-dimethoxypropan-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(1,1-dimethoxypropan-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-[(2,2-dimethoxy-1-methyl-ethyl)carbamothioylamino]benzoate CAS Name: 4-[[(1,1-dimethoxypropan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,1-dimethoxypropan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-[(2,2-dimethoxy-1-methyl-ethyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-9(13(19-3)20-4)15-14(21)16-11-7-5-10(6-8-11)12(17)18-2/h5-9,13H,1-4H3,(H2,15,16,21)