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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-morpholinophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-morpholinophenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-2-27-18-8-3-14(13-17(18)21)19(25)23-20(28)22-15-4-6-16(7-5-15)24-9-11-26-12-10-24/h3-8,13H,2,9-12H2,1H3,(H2,22,23,25,28)