3-bromanyl-4-tert-butyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O3S2 MolecularWeight: 524.49414

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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)N3CCCC3)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C22H26BrN3O3S2/c1-22(2,3)18-11-6-15(14-19(18)23)20(27)25-21(30)24-16-7-9-17(10-8-16)31(28,29)26-12-4-5-13-26/h6-11,14H,4-5,12-13H2,1-3H3,(H2,24,25,27,30)