2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26BrN3O3S2 MolecularWeight: 524.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C22H26BrN3O3S2/c1-11(2)14-9-15(23)12(3)8-16(14)29-10-18(27)25-22(30)26-21-19(20(24)28)13-6-4-5-7-17(13)31-21/h8-9,11H,4-7,10H2,1-3H3,(H2,24,28)(H2,25,26,27,30)