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

Systemtic Name: 2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C22H19BrClN3O3S2 MolecularWeight: 552.89156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrClN3O3S2/c1-12-17(9-13-5-3-2-4-6-13)32-21(19(12)20(25)29)27-22(31)26-18(28)11-30-16-8-7-14(23)10-15(16)24/h2-8,10H,9,11H2,1H3,(H2,25,29)(H2,26,27,28,31)