3-bromanyl-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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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)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O3S/c1-2-28-18-6-3-13(11-15(18)21)19(26)24-20(29)23-14-4-5-17(16(22)12-14)25-7-9-27-10-8-25/h3-6,11-12H,2,7-10H2,1H3,(H2,23,24,26,29)