5-bromanyl-2-butoxy-N-[(2-cyanophenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[(2-cyanophenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(2-cyanophenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(2-cyanoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(2-cyanophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(2-cyanophenyl)thiocarbamoyl]benzamide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C19H18BrN3O2S/c1-2-3-10-25-17-9-8-14(20)11-15(17)18(24)23-19(26)22-16-7-5-4-6-13(16)12-21/h4-9,11H,2-3,10H2,1H3,(H2,22,23,24,26)