3-bromanyl-4-hexoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[(2-hydroxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(2-hydroxyethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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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)NCCO)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4S/c1-2-3-4-7-14-31-20-11-10-16(15-18(20)24)21(29)27-23(32)26-19-9-6-5-8-17(19)22(30)25-12-13-28/h5-6,8-11,15,28H,2-4,7,12-14H2,1H3,(H,25,30)(H2,26,27,29,32)