5-bromanyl-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(2-isobutoxyphenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(2-isobutoxyphenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC(C)C

InChI

InChI=1S/C21H25BrN2O3S/c1-4-11-26-18-10-9-15(22)12-16(18)20(25)24-21(28)23-17-7-5-6-8-19(17)27-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,23,24,25,28)