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

Systemtic Name: 4-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzamide Openeye Name: 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]benzamide CAS Name: 4-[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzamide Traditional Name: 4-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C20H22BrN3O3S/c1-11(2)15-9-16(21)12(3)8-17(15)27-10-18(25)24-20(28)23-14-6-4-13(5-7-14)19(22)26/h4-9,11H,10H2,1-3H3,(H2,22,26)(H2,23,24,25,28)