N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H17BrClN3O3S2 MolecularWeight: 526.85428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C20H17BrClN3O3S2/c1-2-11-7-8-14(13(21)9-11)28-10-16(26)24-25-20(29)23-19(27)18-17(22)12-5-3-4-6-15(12)30-18/h3-9H,2,10H2,1H3,(H,24,26)(H2,23,25,27,29)