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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-cyanophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-cyanophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-cyanoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-cyanophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-cyanophenyl)thiocarbamoyl]benzamide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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