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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(4-morpholinosulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S2/c1-22(2,3)18-9-4-15(14-19(18)23)20(27)25-21(31)24-16-5-7-17(8-6-16)32(28,29)26-10-12-30-13-11-26/h4-9,14H,10-13H2,1-3H3,(H2,24,25,27,31)