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4-bromanyl-3-[(pyrrolidin-1-ylcarbothioylamino)methyl]benzoic acid

4-bromanyl-3-[(pyrrolidin-1-ylcarbothioylamino)methyl]benzoic acid

Systemtic Name:4-bromanyl-3-[(pyrrolidin-1-ylcarbothioylamino)methyl]benzoic acid
Openeye Name:4-bromo-3-[(pyrrolidine-1-carbothioylamino)methyl]benzoic acid
CAS Name:4-bromo-3-[[[1-pyrrolidinyl(sulfanylidene)methyl]amino]methyl]benzoic acid
IUPAC Name:4-bromo-3-[(pyrrolidine-1-carbothioylamino)methyl]benzoic acid
Traditional Name:4-bromo-3-[(pyrrolidine-1-carbothioylamino)methyl]benzoic acid
Formula: C13H15BrN2O2S
MolecularWeight: 343.2394
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NCC2=C(C=CC(=C2)C(=O)O)Br


Isomeric SMILES

C1CCN(C1)C(=S)NCC2=C(C=CC(=C2)C(=O)O)Br


InChI

InChI=1S/C13H15BrN2O2S/c14-11-4-3-9(12(17)18)7-10(11)8-15-13(19)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H,15,19)(H,17,18)


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