3-bromanyl-4-ethoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(3-isobutoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(3-isobutoxyphenyl)thiocarbamoyl]benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-4-25-18-9-8-14(10-17(18)21)19(24)23-20(27)22-15-6-5-7-16(11-15)26-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H2,22,23,24,27)