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

Systemtic Name: 3-bromanyl-4-butoxy-N-[methyl(phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[methyl(phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(N-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[methyl(phenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[methyl(phenyl)thiocarbamoyl]benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O2S/c1-3-4-12-24-17-11-10-14(13-16(17)20)18(23)21-19(25)22(2)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,21,23,25)