N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C18H13BrClN3O3S2 MolecularWeight: 498.80112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)COC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C18H13BrClN3O3S2/c19-10-5-7-11(8-6-10)26-9-14(24)22-23-18(27)21-17(25)16-15(20)12-3-1-2-4-13(12)28-16/h1-8H,9H2,(H,22,24)(H2,21,23,25,27)