5-bromanyl-2-butoxy-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC=C2CC)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC=C2CC)C

InChI

InChI=1S/C21H25BrN2O2S/c1-4-6-12-26-18-11-10-16(22)13-17(18)20(25)24-21(27)23-19-14(3)8-7-9-15(19)5-2/h7-11,13H,4-6,12H2,1-3H3,(H2,23,24,25,27)