3-bromanyl-4-butoxy-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-ethyl-6-methylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2S/c1-4-6-12-26-18-11-10-16(13-17(18)22)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)