5-bromanyl-2-butoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-3-4-11-30-19-9-8-16(23)14-18(19)21(28)26-22(31)25-17-7-5-6-15(13-17)20(27)24-10-12-29-2/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,24,27)(H2,25,26,28,31)