5-bromanyl-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCOC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCOC

InChI

InChI=1S/C21H24BrN3O4S/c1-3-11-29-18-9-6-15(22)13-17(18)20(27)25-21(30)24-16-7-4-14(5-8-16)19(26)23-10-12-28-2/h4-9,13H,3,10-12H2,1-2H3,(H,23,26)(H2,24,25,27,30)