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

Systemtic Name: 5-bromanyl-2-butoxy-N-[(3-butoxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(3-butoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(3-butoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(3-butoxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(3-butoxyphenyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3S/c1-3-5-12-27-18-9-7-8-17(15-18)24-22(29)25-21(26)19-14-16(23)10-11-20(19)28-13-6-4-2/h7-11,14-15H,3-6,12-13H2,1-2H3,(H2,24,25,26,29)