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

Systemtic Name: 3-bromanyl-N-[(3-chlorophenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3-chlorophenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3-chloroanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-chlorophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3-chlorophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H22BrClN2O2S MolecularWeight: 469.82288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrClN2O2S/c1-2-3-4-5-11-26-18-10-9-14(12-17(18)21)19(25)24-20(27)23-16-8-6-7-15(22)13-16/h6-10,12-13H,2-5,11H2,1H3,(H2,23,24,25,27)