3-bromanyl-4-hexoxy-N-[(4-iodophenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(4-iodophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(4-iodophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(4-iodoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(4-iodophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(4-iodophenyl)thiocarbamoyl]benzamide Formula: C20H22BrIN2O2S MolecularWeight: 561.27435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrIN2O2S/c1-2-3-4-5-12-26-18-11-6-14(13-17(18)21)19(25)24-20(27)23-16-9-7-15(22)8-10-16/h6-11,13H,2-5,12H2,1H3,(H2,23,24,25,27)