3-bromanyl-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(2,4-dichlorophenyl)methylcarbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(2,4-dichlorobenzyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H23BrCl2N2O2S MolecularWeight: 518.29452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C21H23BrCl2N2O2S/c1-2-3-4-5-10-28-19-9-7-14(11-17(19)22)20(27)26-21(29)25-13-15-6-8-16(23)12-18(15)24/h6-9,11-12H,2-5,10,13H2,1H3,(H2,25,26,27,29)