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

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-3-(phenoxymethyl)benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-3-(phenoxymethyl)benzamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-3-(phenoxymethyl)benzamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-3-(phenoxymethyl)benzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-3-(phenoxymethyl)benzamide Formula: C21H16Br2N2O3S MolecularWeight: 536.23634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C21H16Br2N2O3S/c22-17-10-15(11-18(23)19(17)26)24-21(29)25-20(27)14-6-4-5-13(9-14)12-28-16-7-2-1-3-8-16/h1-11,26H,12H2,(H2,24,25,27,29)