2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C26H28BrN3O3S2 MolecularWeight: 574.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C26H28BrN3O3S2/c1-14(2)18-12-19(27)15(3)10-20(18)33-13-22(31)29-26(34)30-25-23(24(28)32)16(4)21(35-25)11-17-8-6-5-7-9-17/h5-10,12,14H,11,13H2,1-4H3,(H2,28,32)(H2,29,30,31,34)