5-bromanyl-2-ethoxy-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H22BrN3O4S/c1-2-29-18-7-6-15(22)13-17(18)19(26)24-21(30)23-16-5-3-4-14(12-16)20(27)25-8-10-28-11-9-25/h3-7,12-13H,2,8-11H2,1H3,(H2,23,24,26,30)