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

Systemtic Name: 3-butoxy-N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]benzamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C22H26ClN3O3S/c1-2-3-11-29-18-6-4-5-16(14-18)21(27)25-22(30)24-19-15-17(23)7-8-20(19)26-9-12-28-13-10-26/h4-8,14-15H,2-3,9-13H2,1H3,(H2,24,25,27,30)