5-bromanyl-2-methoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H22BrN3O4S/c1-27-11-5-10-22-18(25)14-6-3-4-7-16(14)23-20(29)24-19(26)15-12-13(21)8-9-17(15)28-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,25)(H2,23,24,26,29)