3-bromanyl-4-butoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-(p-tolylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-methylbenzyl)thiocarbamoyl]benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-3-4-11-25-18-10-9-16(12-17(18)21)19(24)23-20(26)22-13-15-7-5-14(2)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,23,24,26)