5-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[(4-butoxyphenyl)carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[(4-butoxyanilino)-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(4-butoxyphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[(4-butoxyphenyl)thiocarbamoyl]-2-isobutoxy-benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3S/c1-4-5-12-27-18-9-7-17(8-10-18)24-22(29)25-21(26)19-13-16(23)6-11-20(19)28-14-15(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H2,24,25,26,29)