2-(4-bromanylphenoxy)-N-[(4-phenylazanylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(4-phenylazanylphenyl)carbamothioyl]ethanamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-2-(4-bromophenoxy)acetamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O2S/c22-15-6-12-19(13-7-15)27-14-20(26)25-21(28)24-18-10-8-17(9-11-18)23-16-4-2-1-3-5-16/h1-13,23H,14H2,(H2,24,25,26,28)