propyl 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C23H27BrN2O4S/c1-5-10-29-22(28)16-6-8-17(9-7-16)25-23(31)26-21(27)13-30-20-11-15(4)19(24)12-18(20)14(2)3/h6-9,11-12,14H,5,10,13H2,1-4H3,(H2,25,26,27,31)