N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-2-(2,3-dimethylphenoxy)acetamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-14-4-3-5-19(15(14)2)28-13-20(26)24-21(29)23-16-6-7-18(17(22)12-16)25-8-10-27-11-9-25/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,26,29)