3-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-3-10-28-19-9-8-15(13-18(19)22)20(25)24-21(29)23-16-6-5-7-17(14-16)27-12-11-26-4-2/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,23,24,25,29)