2-bromanyl-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(5-morpholinosulfonyl-2-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C22H25BrN4O4S2 MolecularWeight: 553.4923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C22H25BrN4O4S2/c23-18-6-2-1-5-17(18)21(28)25-22(32)24-19-15-16(7-8-20(19)26-9-3-4-10-26)33(29,30)27-11-13-31-14-12-27/h1-2,5-8,15H,3-4,9-14H2,(H2,24,25,28,32)