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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-morpholin-4-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCOCC3)Br

InChI

InChI=1S/C25H30BrN3O4S/c1-2-3-4-7-14-33-22-11-10-18(17-20(22)26)23(30)28-25(34)27-21-9-6-5-8-19(21)24(31)29-12-15-32-16-13-29/h5-6,8-11,17H,2-4,7,12-16H2,1H3,(H2,27,28,30,34)