4-butoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(4-morpholinophenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(4-morpholinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-2-3-14-28-20-10-4-17(5-11-20)21(26)24-22(29)23-18-6-8-19(9-7-18)25-12-15-27-16-13-25/h4-11H,2-3,12-16H2,1H3,(H2,23,24,26,29)