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

Systemtic Name: 3-bromanyl-N-[(4-bromophenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(4-bromophenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(4-bromoanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(4-bromophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(4-bromophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H22Br2N2O2S MolecularWeight: 514.27388

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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)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22Br2N2O2S/c1-2-3-4-5-12-26-18-11-6-14(13-17(18)22)19(25)24-20(27)23-16-9-7-15(21)8-10-16/h6-11,13H,2-5,12H2,1H3,(H2,23,24,25,27)