3-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-(butylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC)Br

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-3-5-12-24-21(28)16-8-6-7-9-18(16)25-22(30)26-20(27)15-10-11-19(17(23)14-15)29-13-4-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,24,28)(H2,25,26,27,30)