3-bromanyl-4-butoxy-N-[(2-butoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-butoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(2-butoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-butoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-butoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-butoxyphenyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC)Br

InChI

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