5-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-butoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-butoxyanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-butoxyphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-butoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O3S/c1-2-3-15-31-22-11-7-10-21(18-22)28-26(33)29-25(30)23-17-20(27)12-13-24(23)32-16-14-19-8-5-4-6-9-19/h4-13,17-18H,2-3,14-16H2,1H3,(H2,28,29,30,33)