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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(4-morpholinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C24H30BrN3O5S2 MolecularWeight: 584.5461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C24H30BrN3O5S2/c1-2-3-4-5-14-33-22-11-6-18(17-21(22)25)23(29)27-24(34)26-19-7-9-20(10-8-19)35(30,31)28-12-15-32-16-13-28/h6-11,17H,2-5,12-16H2,1H3,(H2,26,27,29,34)