3-bromanyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(4-morpholinophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(4-morpholinophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3O2S/c19-14-3-1-2-13(12-14)17(23)21-18(25)20-15-4-6-16(7-5-15)22-8-10-24-11-9-22/h1-7,12H,8-11H2,(H2,20,21,23,25)