2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N)Br

InChI

InChI=1S/C18H20BrN3O3S2/c1-4-11-5-6-13(12(19)7-11)25-8-14(23)21-18(26)22-17-15(16(20)24)9(2)10(3)27-17/h5-7H,4,8H2,1-3H3,(H2,20,24)(H2,21,22,23,26)