methyl 4-[(pyridin-3-ylcarbamothioylamino)methyl]benzoate

Systemtic Name: methyl 4-[(pyridin-3-ylcarbamothioylamino)methyl]benzoate Openeye Name: methyl 4-[(3-pyridylcarbamothioylamino)methyl]benzoate CAS Name: 4-[[[(3-pyridinylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(pyridin-3-ylcarbamothioylamino)methyl]benzoate Traditional Name: 4-[(3-pyridylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=S)NC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-20-14(19)12-6-4-11(5-7-12)9-17-15(21)18-13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H2,17,18,21)