5-bromanyl-2-(2-methylpropoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26BrN3O4S2/c1-15(2)14-30-20-10-5-16(23)13-19(20)21(27)25-22(31)24-17-6-8-18(9-7-17)32(28,29)26-11-3-4-12-26/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H2,24,25,27,31)