5-bromanyl-N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3)OC

InChI

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