3-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[(3-butoxyanilino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(3-butoxyphenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-3-5-11-26-16-8-6-7-15(13-16)22-20(27)23-19(24)14-9-10-18(25-4-2)17(21)12-14/h6-10,12-13H,3-5,11H2,1-2H3,(H2,22,23,24,27)