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

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H22Br2N2O3S MolecularWeight: 530.27328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C20H22Br2N2O3S/c1-2-3-4-5-10-27-15-8-6-13(7-9-15)19(26)24-20(28)23-14-11-16(21)18(25)17(22)12-14/h6-9,11-12,25H,2-5,10H2,1H3,(H2,23,24,26,28)