3-bromanyl-4-butoxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-ethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-(p-phenetylthiocarbamoyl)benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC)Br

InChI

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