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

Systemtic Name: 5-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-3-4-11-22-18(25)14-7-5-6-8-16(14)23-20(28)24-19(26)15-12-13(21)9-10-17(15)27-2/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H2,23,24,26,28)