5-bromanyl-2-(3-methylbutoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C23H28BrN3O4S2 MolecularWeight: 554.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H28BrN3O4S2/c1-16(2)11-14-31-21-10-5-17(24)15-20(21)22(28)26-23(32)25-18-6-8-19(9-7-18)33(29,30)27-12-3-4-13-27/h5-10,15-16H,3-4,11-14H2,1-2H3,(H2,25,26,28,32)