3-bromanyl-N-pyrrolidin-1-ylcarbothioyl-benzamide

Systemtic Name: 3-bromanyl-N-pyrrolidin-1-ylcarbothioyl-benzamide Openeye Name: 3-bromo-N-(pyrrolidine-1-carbothioyl)benzamide CAS Name: 3-bromo-N-[1-pyrrolidinyl(sulfanylidene)methyl]benzamide IUPAC Name: 3-bromo-N-(pyrrolidine-1-carbothioyl)benzamide Traditional Name: 3-bromo-N-(pyrrolidine-1-carbothioyl)benzamide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CCN(C1)C(=S)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H13BrN2OS/c13-10-5-3-4-9(8-10)11(16)14-12(17)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H,14,16,17)