5-bromanyl-2-(3-methylbutoxy)-N-[(4-methylphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-(p-tolylmethylcarbamothioyl)benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[(4-methylbenzyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C21H25BrN2O2S/c1-14(2)10-11-26-19-9-8-17(22)12-18(19)20(25)24-21(27)23-13-16-6-4-15(3)5-7-16/h4-9,12,14H,10-11,13H2,1-3H3,(H2,23,24,25,27)