methyl 4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-isobutoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-13(2)12-26-17-6-4-5-15(11-17)18(23)22-20(27)21-16-9-7-14(8-10-16)19(24)25-3/h4-11,13H,12H2,1-3H3,(H2,21,22,23,27)