3-bromanyl-N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-4-ethoxy-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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