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

Systemtic Name: 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C23H22BrN3O3S2 MolecularWeight: 532.47308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

InChI

InChI=1S/C23H22BrN3O3S2/c1-13-8-9-17(16(24)10-13)30-12-19(28)26-23(31)27-22-20(21(25)29)14(2)18(32-22)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H2,25,29)(H2,26,27,28,31)