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

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C22H20BrN3O3S2 MolecularWeight: 518.4465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3O3S2/c1-13-17(11-14-5-3-2-4-6-14)31-21(19(13)20(24)28)26-22(30)25-18(27)12-29-16-9-7-15(23)8-10-16/h2-10H,11-12H2,1H3,(H2,24,28)(H2,25,26,27,30)