methyl 2-(pyrazolidin-1-ylcarbothioylamino)benzoate

Systemtic Name: methyl 2-(pyrazolidin-1-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(pyrazolidine-1-carbothioylamino)benzoate CAS Name: 2-[[1-pyrazolidinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(pyrazolidine-1-carbothioylamino)benzoate Traditional Name: 2-(pyrazolidine-1-carbothioylamino)benzoic acid methyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCCN2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCCN2

InChI

InChI=1S/C12H15N3O2S/c1-17-11(16)9-5-2-3-6-10(9)14-12(18)15-8-4-7-13-15/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,18)