5-bromanyl-2-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[4-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[4-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-4-11-24-20(27)15-5-8-17(9-6-15)25-22(30)26-21(28)18-12-16(23)7-10-19(18)29-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,27)(H2,25,26,28,30)