2-methylpropyl 4-(2-phenoxyethanoylcarbamothioylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(2-phenoxyethanoylcarbamothioylamino)benzoate Openeye Name: isobutyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic acid isobutyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-14(2)12-26-19(24)15-8-10-16(11-9-15)21-20(27)22-18(23)13-25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H2,21,22,23,27)