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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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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)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

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