4-tert-butyl-N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]benzamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-22(2,3)16-6-4-15(5-7-16)20(27)25-21(29)24-18-14-17(23)8-9-19(18)26-10-12-28-13-11-26/h4-9,14H,10-13H2,1-3H3,(H2,24,25,27,29)