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

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]benzamide Formula: C18H18Br2N2O3S MolecularWeight: 502.22012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C18H18Br2N2O3S/c1-2-3-8-25-13-6-4-11(5-7-13)17(24)22-18(26)21-12-9-14(19)16(23)15(20)10-12/h4-7,9-10,23H,2-3,8H2,1H3,(H2,21,22,24,26)