N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C16H13Br2ClN2O3S MolecularWeight: 508.61202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)Cl

InChI

InChI=1S/C16H13Br2ClN2O3S/c1-2-24-13-4-3-8(5-12(13)19)15(23)21-16(25)20-9-6-10(17)14(22)11(18)7-9/h3-7,22H,2H2,1H3,(H2,20,21,23,25)