2-methylpropyl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid isobutyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(C)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(C)C)C(C)C

InChI

InChI=1S/C24H30N2O4S/c1-15(2)13-30-23(28)18-6-8-19(9-7-18)25-24(31)26-22(27)14-29-20-10-11-21(16(3)4)17(5)12-20/h6-12,15-16H,13-14H2,1-5H3,(H2,25,26,27,31)