5-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C22H26BrN3O4S/c1-4-26(5-2)21(28)15-7-6-8-17(13-15)24-22(31)25-20(27)18-14-16(23)9-10-19(18)30-12-11-29-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,24,25,27,31)