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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[2-(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)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

InChI

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