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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-methylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-(m-tolylcarbamothioyl)benzamide CAS Name: 3-bromo-4-butoxy-N-[(3-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-methylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-(m-tolylthiocarbamoyl)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)NC2=CC=CC(=C2)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C)Br

InChI

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