5-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-butoxyanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxyphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-butoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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