3-bromanyl-4-butoxy-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

InChI

InChI=1S/C23H26BrN3O4S/c1-2-3-12-31-20-9-8-16(15-18(20)24)21(28)26-23(32)25-19-7-5-4-6-17(19)22(29)27-10-13-30-14-11-27/h4-9,15H,2-3,10-14H2,1H3,(H2,25,26,28,32)