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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-butoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-butoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-butoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-butoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-butoxyphenyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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